# HG changeset patch # User jay # Date 1771325565 0 # Node ID 76a728a52df6c48e1cc41f3d89919b6d4fa4b1d5 planemo upload for repository https://github.com/jaidevjoshi83/MicroBiomML commit 5ef78d4decc95ac107c468499328e7f086289ff9-dirty diff -r 000000000000 -r 76a728a52df6 LICENSE --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/LICENSE Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,21 @@ +MIT License + +Copyright (c) 2020 jaidevjoshi83 + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. diff -r 000000000000 -r 76a728a52df6 README.md --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,41 @@ +# MicroBiomML + +This repository contains supporting materials for the research article "_Large-scale classification of metagenomic samples: a comparative analysis of classical machine learning techniques vs a novel brain-inspired hyperdimensional computing approach_". + +## Overview + +MicroBiomML provides Galaxy tools and pipelines for running classical machine learning (ML) methods on metagenomic datasets sourced from the curatedMetagenomicData R package. In addition, it includes a dedicated Galaxy tool for comparing the performance of traditional ML techniques versus a new brain-inspired hyperdimensional computing (HDC) classification approach. + +## Features + +- __Classical Machine Learning Tools__: Scripts and workflows for applying common ML algorithms (e.g., Random Forest, Support Vector Machines, etc.) to metagenomic data. +- __HDC Tool__: An implementation of the hyperdimensional computing approach for the classification and feature selection of metagenomic data. +- __Galaxy Integration__: All tools and pipelines are wrapped as Galaxy tools for easy execution and reproducibility. + +## Getting Started + +### Prerequisites + +- Galaxy installation +- R and the curatedMetagenomicData package + +### Usage + +- Install the Galaxy tools from this repository. +- Import metagenomic datasets via curatedMetagenomicData. +- Run the available ML or HDC pipelines within Galaxy. +- Compare results using the dedicated comparison tool. + +## Citation + +If you utilize these tools in your research, please cite: + +> _Manuscript in preparation_ + +## Contact + +For questions or further information, contact [Jayadev Joshi](mailto:joshij@ccf.org) and [Fabio Cumbo](mailto:cumbof@ccf.org). + +## License + +This work is distributed under the MIT License. \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 curated_metagenomic_data/curated_metagenomic_data.r --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/curated_metagenomic_data/curated_metagenomic_data.r Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,36 @@ +# Load necessary libraries +library(curatedMetagenomicData) +library(SummarizedExperiment) +library(dplyr) + +args <- commandArgs(trailingOnly = TRUE) +# Access the first argument +author_year <- args[1] +countData <- args[2] +metaData <- args[3] + + +# Fetch and merge datasets +pattern <- paste0(author_year, "+.relative_abundance") + +merged_data <- curatedMetagenomicData(pattern, dryrun = FALSE) |> +mergeData() + +# Extract abundance data matrix and convert to a data frame +abundance_df <- as.data.frame(assay(merged_data)) + +# Extract sample metadata as a data frame +metadata_df <- as.data.frame(colData(merged_data)) + +dim(abundance_df) +dim(metadata_df) + +abundance_t_df <- as.data.frame(t(assay(merged_data))) + +abundance_t_df$sample_id <- rownames(abundance_t_df) +abundance_t_df <- abundance_t_df[, c("sample_id", setdiff(names(abundance_t_df), "sample_id"))] +write.table(abundance_t_df, file = countData, sep = "\t", quote = FALSE, row.names = FALSE, col.names = TRUE) + +metadata_df$sample_id <- rownames(metadata_df) +metadata_df <- metadata_df[, c("sample_id", setdiff(names(metadata_df), "sample_id"))] +write.table(metadata_df, file = metaData, sep = "\t", quote = FALSE, row.names = FALSE, col.names = TRUE) diff -r 000000000000 -r 76a728a52df6 curated_metagenomic_data/test-data/metadata.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/curated_metagenomic_data/test-data/metadata.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,111 @@ +sample_id study_name subject_id body_site study_condition disease age_category country non_westernized sequencing_platform DNA_extraction_kit PMID number_reads number_bases minimum_read_length median_read_length NCBI_accession curator protein_intake +SRR3992955 LiuW_2016 SRR3992955 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 78376762 11756514300 150 150 SRR3992955 Paolo_Manghi 125.1 +SRR3992956 LiuW_2016 SRR3992956 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 43599100 6539865000 150 150 SRR3992956 Paolo_Manghi 128.12 +SRR3992957 LiuW_2016 SRR3992957 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 34782688 5217403200 150 150 SRR3992957 Paolo_Manghi 166.7 +SRR3992958 LiuW_2016 SRR3992958 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 54269420 8140413000 150 150 SRR3992958 Paolo_Manghi 78.52 +SRR3992959 LiuW_2016 SRR3992959 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 64648644 9697296600 150 150 SRR3992959 Paolo_Manghi 89.74 +SRR3992960 LiuW_2016 SRR3992960 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 40220748 6033112200 150 150 SRR3992960 Paolo_Manghi 104.16 +SRR3992961 LiuW_2016 SRR3992961 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 82546276 12009412152 126 150 SRR3992961 Paolo_Manghi 76.12 +SRR3992962 LiuW_2016 SRR3992962 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 65661186 9663515484 126 150 SRR3992962 Paolo_Manghi 82.53 +SRR3992963 LiuW_2016 SRR3992963 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 44154270 6459391572 126 150 SRR3992963 Paolo_Manghi 93.74 +SRR3992964 LiuW_2016 SRR3992964 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 32447746 4867161900 150 150 SRR3992964 Paolo_Manghi 86.53 +SRR3992965 LiuW_2016 SRR3992965 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 88086108 13212916200 150 150 SRR3992965 Paolo_Manghi 105.76 +SRR3992966 LiuW_2016 SRR3992966 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 43384542 6507681300 150 150 SRR3992966 Paolo_Manghi 70.51 +SRR3992967 LiuW_2016 SRR3992967 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 62844638 9426695700 150 150 SRR3992967 Paolo_Manghi 97.75 +SRR3992968 LiuW_2016 SRR3992968 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 43738436 6560765400 150 150 SRR3992968 Paolo_Manghi 99.65 +SRR3992969 LiuW_2016 SRR3992969 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 107831094 16018041780 126 150 SRR3992969 Paolo_Manghi 208.83 +SRR3992970 LiuW_2016 SRR3992970 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 41504748 6168729624 126 150 SRR3992970 Paolo_Manghi 147.1 +SRR3992971 LiuW_2016 SRR3992971 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 62024590 8543619274 125 150 SRR3992971 Paolo_Manghi 156.55 +SRR3992972 LiuW_2016 SRR3992972 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 42672324 6400848600 150 150 SRR3992972 Paolo_Manghi 159.5 +SRR3992973 LiuW_2016 SRR3992973 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 130254616 19538192400 150 150 SRR3992973 Paolo_Manghi 134.2 +SRR3992974 LiuW_2016 SRR3992974 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 38469236 5770385400 150 150 SRR3992974 Paolo_Manghi 209.86 +SRR3992975 LiuW_2016 SRR3992975 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 37260382 5589057300 150 150 SRR3992975 Paolo_Manghi 111.2 +SRR3992976 LiuW_2016 SRR3992976 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 37093368 5564005200 150 150 SRR3992976 Paolo_Manghi 124.6 +SRR3992977 LiuW_2016 SRR3992977 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 36293988 5444098200 150 150 SRR3992977 Paolo_Manghi 216.2 +SRR3992978 LiuW_2016 SRR3992978 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 63939470 9027440026 125 150 SRR3992978 Paolo_Manghi 167.8 +SRR3992979 LiuW_2016 SRR3992979 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 42545206 6381780900 150 150 SRR3992979 Paolo_Manghi 117.8 +SRR3992980 LiuW_2016 SRR3992980 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 50954622 7246675442 125 150 SRR3992980 Paolo_Manghi 46.85 +SRR3992981 LiuW_2016 SRR3992981 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 58568686 8150639550 125 150 SRR3992981 Paolo_Manghi 101.95 +SRR3992982 LiuW_2016 SRR3992982 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 35619256 5318867328 126 150 SRR3992982 Paolo_Manghi 56.05 +SRR3992983 LiuW_2016 SRR3992983 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 39630138 5944520700 150 150 SRR3992983 Paolo_Manghi 304.4 +SRR3992984 LiuW_2016 SRR3992984 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 50284672 7173167082 125 150 SRR3992984 Paolo_Manghi 108.95 +SRR3992985 LiuW_2016 SRR3992985 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 110446032 15917332176 126 150 SRR3992985 Paolo_Manghi 81.3 +SRR3992986 LiuW_2016 SRR3992986 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 46408432 6828053616 126 150 SRR3992986 Paolo_Manghi 418 +SRR3992987 LiuW_2016 SRR3992987 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 181557884 22876293384 126 126 SRR3992987 Paolo_Manghi 95.05 +SRR3992988 LiuW_2016 SRR3992988 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 44247666 6637149900 150 150 SRR3992988 Paolo_Manghi 87 +SRR3992989 LiuW_2016 SRR3992989 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 42365764 6026353950 125 150 SRR3992989 Paolo_Manghi 158.54 +SRR3992990 LiuW_2016 SRR3992990 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 67393674 10109051100 150 150 SRR3992990 Paolo_Manghi 126.07 +SRR3992991 LiuW_2016 SRR3992991 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 193607438 28769574948 126 150 SRR3992991 Paolo_Manghi 123.55 +SRR3992992 LiuW_2016 SRR3992992 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 32956896 4864216992 126 150 SRR3992992 Paolo_Manghi 83.61 +SRR3992993 LiuW_2016 SRR3992993 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 72036280 10429200720 126 150 SRR3992993 Paolo_Manghi 134.1 +SRR3992994 LiuW_2016 SRR3992994 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 40329806 5626804050 125 150 SRR3992994 Paolo_Manghi 202 +SRR3992995 LiuW_2016 SRR3992995 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 77807568 11548861824 126 150 SRR3992995 Paolo_Manghi 48.68 +SRR3992996 LiuW_2016 SRR3992996 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37433788 5235064116 125 150 SRR3992996 Paolo_Manghi 83.07 +SRR3992997 LiuW_2016 SRR3992997 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 70848376 10373864112 126 150 SRR3992997 Paolo_Manghi 106.5 +SRR3992998 LiuW_2016 SRR3992998 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 68869128 10215484416 126 150 SRR3992998 Paolo_Manghi 302.95 +SRR3992999 LiuW_2016 SRR3992999 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 85952440 12892866000 150 150 SRR3992999 Paolo_Manghi 90.6 +SRR3993000 LiuW_2016 SRR3993000 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 56078692 7550371894 125 125 SRR3993000 Paolo_Manghi 90.03 +SRR3993001 LiuW_2016 SRR3993001 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 57493562 8624034300 150 150 SRR3993001 Paolo_Manghi 68.7 +SRR3993002 LiuW_2016 SRR3993002 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 60532296 8225654200 125 125 SRR3993002 Paolo_Manghi 147.27 +SRR3993003 LiuW_2016 SRR3993003 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 52714170 7357813702 125 150 SRR3993003 Paolo_Manghi 174.5 +SRR3993004 LiuW_2016 SRR3993004 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 49572892 7435933800 150 150 SRR3993004 Paolo_Manghi 148.6 +SRR3993005 LiuW_2016 SRR3993005 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 80015598 11924989668 126 150 SRR3993005 Paolo_Manghi 74.9 +SRR3993006 LiuW_2016 SRR3993006 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 39770632 5965594800 150 150 SRR3993006 Paolo_Manghi 107.55 +SRR3993007 LiuW_2016 SRR3993007 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 57170972 8390789496 126 150 SRR3993007 Paolo_Manghi 76.7 +SRR3993008 LiuW_2016 SRR3993008 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37886052 5682907800 150 150 SRR3993008 Paolo_Manghi 76.2 +SRR3993009 LiuW_2016 SRR3993009 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 40074110 5849530644 126 150 SRR3993009 Paolo_Manghi 74.1 +SRR3993010 LiuW_2016 SRR3993010 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 37899142 5684871300 150 150 SRR3993010 Paolo_Manghi 113.1 +SRR3993011 LiuW_2016 SRR3993011 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 36444756 5408561880 126 150 SRR3993011 Paolo_Manghi 117.4 +SRR3993012 LiuW_2016 SRR3993012 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 79729538 11749259052 126 150 SRR3993012 Paolo_Manghi 90.4 +SRR3993013 LiuW_2016 SRR3993013 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 72365638 10754632308 126 150 SRR3993013 Paolo_Manghi 56.4 +SRR3993014 LiuW_2016 SRR3993014 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 65522780 9828417000 150 150 SRR3993014 Paolo_Manghi 40.6 +SRR3993015 LiuW_2016 SRR3993015 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 59676656 8951498400 150 150 SRR3993015 Paolo_Manghi 123.65 +SRR3993016 LiuW_2016 SRR3993016 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 58508914 8657611212 126 150 SRR3993016 Paolo_Manghi 67.4 +SRR3993017 LiuW_2016 SRR3993017 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 38185330 5727799500 150 150 SRR3993017 Paolo_Manghi 59.85 +SRR3993018 LiuW_2016 SRR3993018 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 63578668 9189995688 126 150 SRR3993018 Paolo_Manghi 22.8 +SRR3993019 LiuW_2016 SRR3993019 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 46867926 6945887940 126 150 SRR3993019 Paolo_Manghi 130.5 +SRR3993020 LiuW_2016 SRR3993020 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 57445366 8434896804 126 150 SRR3993020 Paolo_Manghi 114.3 +SRR3993021 LiuW_2016 SRR3993021 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 49443318 7416497700 150 150 SRR3993021 Paolo_Manghi 38.95 +SRR3993022 LiuW_2016 SRR3993022 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 64086092 9558530280 126 150 SRR3993022 Paolo_Manghi 116.1 +SRR3993023 LiuW_2016 SRR3993023 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 60882172 9066744792 126 150 SRR3993023 Paolo_Manghi 44.7 +SRR3993024 LiuW_2016 SRR3993024 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 39841842 5852812236 126 150 SRR3993024 Paolo_Manghi 174.85 +SRR3993025 LiuW_2016 SRR3993025 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37180160 5577024000 150 150 SRR3993025 Paolo_Manghi 81.11 +SRR3993026 LiuW_2016 SRR3993026 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 34047852 5102996088 126 150 SRR3993026 Paolo_Manghi 99.14 +SRR3993027 LiuW_2016 SRR3993027 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 29156322 4351368972 126 150 SRR3993027 Paolo_Manghi 94.63 +SRR3993028 LiuW_2016 SRR3993028 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 22673124 3400968600 150 150 SRR3993028 Paolo_Manghi 100.04 +SRR3993029 LiuW_2016 SRR3993029 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 28195206 4229280900 150 150 SRR3993029 Paolo_Manghi 91.93 +SRR3993030 LiuW_2016 SRR3993030 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 75342254 11301338100 150 150 SRR3993030 Paolo_Manghi 96.43 +SRR3993031 LiuW_2016 SRR3993031 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 65267646 9790146900 150 150 SRR3993031 Paolo_Manghi 100.04 +SRR3993032 LiuW_2016 SRR3993032 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 57174816 7693480900 125 125 SRR3993032 Paolo_Manghi 94.5 +SRR3993033 LiuW_2016 SRR3993033 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 43980074 6597011100 150 150 SRR3993033 Paolo_Manghi 116.26 +SRR3993034 LiuW_2016 SRR3993034 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 56041196 8406179400 150 150 SRR3993034 Paolo_Manghi 106.35 +SRR3993035 LiuW_2016 SRR3993035 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 108443032 16266454800 150 150 SRR3993035 Paolo_Manghi 114.46 +SRR3993036 LiuW_2016 SRR3993036 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 39847704 5977155600 150 150 SRR3993036 Paolo_Manghi 82.91 +SRR3993037 LiuW_2016 SRR3993037 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 67201156 10080173400 150 150 SRR3993037 Paolo_Manghi 114.46 +SRR3993038 LiuW_2016 SRR3993038 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 36435938 5465390700 150 150 SRR3993038 Paolo_Manghi 89.22 +SRR3993039 LiuW_2016 SRR3993039 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 27438600 4115790000 150 150 SRR3993039 Paolo_Manghi 112.65 +SRR3993040 LiuW_2016 SRR3993040 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 72434026 10865103900 150 150 SRR3993040 Paolo_Manghi 95.53 +SRR3993041 LiuW_2016 SRR3993041 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 86032132 12904819800 150 150 SRR3993041 Paolo_Manghi 98.23 +SRR3993042 LiuW_2016 SRR3993042 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 80753778 12113066700 150 150 SRR3993042 Paolo_Manghi 104.54 +SRR3993043 LiuW_2016 SRR3993043 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 55840912 8376136800 150 150 SRR3993043 Paolo_Manghi 86 +SRR3993044 LiuW_2016 SRR3993044 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 78685516 11802827400 150 150 SRR3993044 Paolo_Manghi 81.11 +SRR3993045 LiuW_2016 SRR3993045 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 87820694 13055662644 126 150 SRR3993045 Paolo_Manghi 83.81 +SRR3993046 LiuW_2016 SRR3993046 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 58766464 8814969600 150 150 SRR3993046 Paolo_Manghi 119.86 +SRR3993047 LiuW_2016 SRR3993047 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 50485574 7572836100 150 150 SRR3993047 Paolo_Manghi 112.65 +SRR3993048 LiuW_2016 SRR3993048 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 46672508 6831562872 126 150 SRR3993048 Paolo_Manghi 116.26 +SRR3993049 LiuW_2016 SRR3993049 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 42885312 6432796800 150 150 SRR3993049 Paolo_Manghi 94.63 +SRR3993050 LiuW_2016 SRR3993050 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 39917980 5987697000 150 150 SRR3993050 Paolo_Manghi 84.72 +SRR3993051 LiuW_2016 SRR3993051 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 38697234 5804585100 150 150 SRR3993051 Paolo_Manghi 91.93 +SRR3993052 LiuW_2016 SRR3993052 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 32202896 4749085968 126 150 SRR3993052 Paolo_Manghi 82.01 +SRR3993053 LiuW_2016 SRR3993053 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 29835590 4408673652 126 150 SRR3993053 Paolo_Manghi 73.71 +SRR3993054 LiuW_2016 SRR3993054 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 48978572 7346785800 150 150 SRR3993054 Paolo_Manghi 225.7 +SRR3993055 LiuW_2016 SRR3993055 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 100450542 14612927028 126 150 SRR3993055 Paolo_Manghi 92.94 +SRR3993056 LiuW_2016 SRR3993056 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 54392858 8057958780 126 150 SRR3993056 Paolo_Manghi 76.92 +SRR3993057 LiuW_2016 SRR3993057 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 72633154 10894973100 150 150 SRR3993057 Paolo_Manghi 90.54 +SRR3993058 LiuW_2016 SRR3993058 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 56474380 8471157000 150 150 SRR3993058 Paolo_Manghi 77.72 +SRR3993059 LiuW_2016 SRR3993059 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 78443610 11455645452 126 150 SRR3993059 Paolo_Manghi 95.35 +SRR3993060 LiuW_2016 SRR3993060 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 73467432 10733227584 126 150 SRR3993060 Paolo_Manghi 70.51 +SRR3993061 LiuW_2016 SRR3993061 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 78786790 11474978388 126 150 SRR3993061 Paolo_Manghi 68.91 +SRR3993062 LiuW_2016 SRR3993062 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37437004 5615550600 150 150 SRR3993062 Paolo_Manghi 87.33 +SRR3993063 LiuW_2016 SRR3993063 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 54129152 8025801600 126 150 SRR3993063 Paolo_Manghi 81.73 +SRR3993064 LiuW_2016 SRR3993064 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37171850 5575777500 150 150 SRR3993064 Paolo_Manghi 79.32 diff -r 000000000000 -r 76a728a52df6 feature_selection/.RData Binary file feature_selection/.RData has changed diff -r 000000000000 -r 76a728a52df6 feature_selection/.Rhistory --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/.Rhistory Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,11 @@ +library(curatedMetagenomicData) +q() +exit( +exit +library(curatedMetagenomicData) +R +q() +q() +library("curatedMetagenomicData") +q +q() diff -r 000000000000 -r 76a728a52df6 feature_selection/Selected Features.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/Selected Features.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,5 @@ + feature_name +0 Ruminococcus_bicirculans +1 Bacteroides_vulgatus +2 Bacteroides_salyersiae +3 Bacteroides_stercoris diff -r 000000000000 -r 76a728a52df6 feature_selection/featureSelection.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/featureSelection.py Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,191 @@ +import pandas as pd +from sklearn.feature_selection import SequentialFeatureSelector +from sklearn.linear_model import LogisticRegression +from sklearn.tree import DecisionTreeClassifier +from sklearn.ensemble import RandomForestClassifier +from sklearn.svm import SVC +import os +import time +import argparse +import json +import subprocess + +def retrieve_results_from_hdc_folds(n_folds, text): + + split_text = text.splitlines() + n_folds = n_folds + df_list = [] + for i in range(n_folds): + for n, line in enumerate(split_text): + if f"Fold {i}" in split_text[n]: + df_list.append([float(split_text[n+2].split(":")[1]), 'NaN', float(split_text[n+5].split(":")[1]), float(split_text[n+4].split(":")[1]), float(split_text[n+3].split(":")[1]), "NaN", float(split_text[n+6].split(":")[1])]) + + df = pd.DataFrame(df_list, columns=["Accuracy", "AUC", "Recall", "Prec.", "F1", "Kappa", "MCC"]) + + mean_row = df.mean(numeric_only=True) + std_row = df.std(numeric_only=True) + + mean_df = mean_row.to_frame().T + mean_df['Fold'] = 'Mean' + + std_df = std_row.to_frame().T + std_df['Fold'] = 'Std' + + df = df.reset_index().rename(columns={'index': 'Fold'}) + + df_with_stats = pd.concat([df, mean_df, std_df], ignore_index=True) + + return df_with_stats + +def parse_arguments(): + """Parse command-line arguments.""" + parser = argparse.ArgumentParser(description="Feature selection using SequentialFeatureSelector on a single TSV file") + parser.add_argument('--input', required=True, help="Path to count matrix file") + parser.add_argument('--metadata', required=True, help="Path to metadata file") + parser.add_argument('--threads', type=int, required=True, help="Number of threads") + parser.add_argument('--classifier', required=True, choices=['lr', 'dt', 'sv', 'rf', 'hdc'], help="Classifier choice") + parser.add_argument('--label', required=True, help="Name of the class label column in the dataset") + parser.add_argument('--tol', type=float, default=1e-5, help="Tolerance for SequentialFeatureSelector convergence (default: 1e-5)") + parser.add_argument('--index_clm', type=str, default='sample_id', help="Index Column") + parser.add_argument('--feature_out', type=str, default='out.tsv', help="Output file for selected features") + parser.add_argument('--log', type=str, default='out.log', help="Log file") + parser.add_argument('--feature_selection', type=str, default=None, help="Path to feature selection file") + parser.add_argument('--dp_columns', type=str, help='Columns to drop from training data') + return parser.parse_args() + +def load_and_preprocess_data(args): + """Load and preprocess the input data.""" + df_counts = pd.read_csv(args.input, sep="\t") + + if args.dp_columns: + dp_column_list = [df_counts.columns.tolist()[int(i) - 1] for i in args.dp_columns.split(',')] + df_counts.drop(columns=dp_column_list, inplace=True) + + df_metadata = pd.read_csv(args.metadata, sep="\t") + target_column = df_metadata.columns.to_list()[int(args.label)-1] + + if args.index_clm and args.index_clm in df_counts.columns and args.index_clm in df_metadata.columns: + df_counts.set_index(args.index_clm, inplace=True) + df_metadata.set_index(args.index_clm, inplace=True) + + df = pd.concat([df_counts, df_metadata[target_column]], axis=1) + + df.to_csv(f"temp_input.tsv", sep='\t', index=False) + + if args.feature_selection: + with open(args.feature_selection) as f: + features = [line.strip() for line in f] + df = df[features] + return df, target_column + +def run_hdc_classification(args, df, dir_name, start_time): + """Run HDC classification and extract features.""" + temp_input_file = f"./{dir_name}/temp_hdc_input.tsv" + df.to_csv(temp_input_file, sep='\t', index=False) + + command = ["chopin2.py", "--input", temp_input_file, "--kfolds", "5", "--levels", "100", "--feature-selection", "backward"] + result = subprocess.run(command, capture_output=True, text=True) + + if result.returncode == 0: + text = result.stdout + + # Extract and save features + try: + features_start = text.index("Features\n----------") + len("Features\n----------\n") + features_end = text.index("\n\nTotal ML models:") + selected_features_str = text[features_start:features_end] + selected_features = selected_features_str.strip().split('\n') + + print("Selected Features:", selected_features) + + out_df = pd.DataFrame(selected_features, columns=['feature_name']) + + out_df.to_csv("selected_features.tsv", sep="\t", index=False) + + except ValueError: + print("Could not find the feature list in the HDC output.") + + # Parse and write scores to the log file + try: + df_scores = retrieve_results_from_hdc_folds(5, text) + with open("hdc_performance.log", 'a') as log_file: + log_file.write("\n--- HDC Performance Scores ---\n") + df_scores.to_string(log_file) + log_file.write("\n") + except Exception as e: + print(f"\nCould not parse performance scores: {e}") + + else: + print("Command failed:", result.stderr) + + elapsed_time = round(time.time() - start_time, 3) + with open(args.log, 'w') as log_file: + log_file.write(f"{'time in seconds'}\t{'algorithm'}\n") + log_file.write(f"{elapsed_time}\t{args.classifier}\n") + +def run_sequential_feature_selection(args, df, start_time, target_label): + + """Run sequential feature selection for non-HDC classifiers.""" + classifiers = { + 'lr': LogisticRegression(), + 'dt': DecisionTreeClassifier(), + 'sv': SVC(), + 'rf': RandomForestClassifier() + } + classifier = classifiers[args.classifier] + + + if target_label not in df.columns: + raise ValueError(f"Label column '{target_label}' not found in the data.") + + X = df.drop(columns=[target_label]) + + + labels = list(set(df[target_label].to_list() )) + + if len(labels) != 2: + raise ValueError(f"Expected exactly 2 class labels, found {len(labels)}: {labels}") + + label_mapping = {labels[0]: 0, labels[1]: 1} + + y = df[target_label].map(label_mapping).tolist() + + sfs = SequentialFeatureSelector( + classifier, + n_features_to_select='auto', + direction='backward', + tol=args.tol, + n_jobs=args.threads + ) + sfs.fit(X, y) + + selected_feature_names = X.columns[sfs.get_support()] + + + out_df = pd.DataFrame(selected_feature_names, columns=['feature_name']) + out_df.to_csv(args.feature_out, sep="\t", index=False) + + elapsed_time = round(time.time() - start_time, 3) + with open(args.log, 'w') as log_file: + log_file.write(f"{'time in seconds'}\t{'algorithm'}\n") + log_file.write(f"{elapsed_time}\t{args.classifier}\n") + +def main(): + """Main function to orchestrate the feature selection process.""" + args = parse_arguments() + + dir_name = os.path.splitext(os.path.basename(args.input))[0] + "_" + args.classifier + os.makedirs(f"./{dir_name}", exist_ok=True) + + start_time = time.time() + + df, target_label = load_and_preprocess_data(args) + + if args.classifier == 'hdc': + run_hdc_classification(args, df, dir_name, start_time) + else: + run_sequential_feature_selection(args, df, start_time, target_label) + +if __name__ == "__main__": + main() + diff -r 000000000000 -r 76a728a52df6 feature_selection/featureSelection.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/featureSelection.xml Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,170 @@ + + Perform feature selection using SequentialFeatureSelector for microbiome data analysis. + + + pandas + scikit-learn + hdlib + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @article{cumbo2023hdlib, + title={hdlib: A Python library for designing Vector-Symbolic Architectures}, + author={Cumbo, Fabio and Weitschek, Emanuel and Blankenberg, Daniel}, + journal={Journal of Open Source Software}, + volume={8}, + number={89}, + pages={5704}, + year={2023} + } + + + @article{cumbo2025feature, + title={Feature selection with vector-symbolic architectures: a case study on microbial profiles of shotgun metagenomic samples of colorectal cancer}, + author={Cumbo, Fabio and Truglia, Simone and Weitschek, Emanuel and Blankenberg, Daniel}, + journal={Briefings in Bioinformatics}, + volume={26}, + number={2}, + pages={bbaf177}, + year={2025}, + publisher={Oxford University Press} + } + + + diff -r 000000000000 -r 76a728a52df6 feature_selection/out.log --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/out.log Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,2 @@ +time in seconds algorithm +1.339 lr diff -r 000000000000 -r 76a728a52df6 feature_selection/out.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/out.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,5 @@ +feature_name +var2 +var3 +var4 +var5 diff -r 000000000000 -r 76a728a52df6 feature_selection/temp_input.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/temp_input.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,11 @@ +var1 var2 var3 var4 var5 class_label +10 25 33 41 55 A +12 22 35 45 52 B +15 28 30 42 58 A +8 20 38 48 50 B +11 26 31 40 56 A +14 21 39 43 51 B +9 29 32 47 59 A +13 23 37 44 53 B +16 27 34 49 57 A +7 24 36 46 54 B diff -r 000000000000 -r 76a728a52df6 feature_selection/test-data/out.log --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/test-data/out.log Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,2 @@ +time in seconds algorithm +3.042 hdc diff -r 000000000000 -r 76a728a52df6 feature_selection/test-data/out.tsv diff -r 000000000000 -r 76a728a52df6 feature_selection/test-data/test_count.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/test-data/test_count.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,11 @@ +var1 var2 var3 var4 var5 +10 25 33 41 55 +12 22 35 45 52 +15 28 30 42 58 +8 20 38 48 50 +11 26 31 40 56 +14 21 39 43 51 +9 29 32 47 59 +13 23 37 44 53 +16 27 34 49 57 +7 24 36 46 54 diff -r 000000000000 -r 76a728a52df6 feature_selection/test-data/test_metadata.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/test-data/test_metadata.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,11 @@ +age class_label +23 A +34 B +45 A +53 B +31 A +28 B +23 A +22 B +23 A +34 B \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 feature_selection/test-data/test_out.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/test-data/test_out.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,5 @@ +feature_name +var2 +var3 +var4 +var5 diff -r 000000000000 -r 76a728a52df6 feature_selection/test.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/test.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,138 @@ +sample_id Bacteroides_uniformis Ruminococcus_bicirculans Bacteroides_vulgatus Bacteroides_dorei Faecalibacterium_prausnitzii Bacteroides_plebeius Bacteroides_salyersiae Bacteroides_stercoris label +BCN-01_1 21.67335 12.60113 6.92922 5.436640000000001 4.47034 3.7806900000000003 3.708 3.6609300000000005 yes +BCN-02_1 16.93711 2.47742 8.39282 0.31923 1.6600400000000002 17.89067 0.53667 4.60778 no +BCN-03_1 1.81256 0.00089 0 5.3268 1.97072 0 0.37221 0.61783 yes +BCN-04_1 6.37426 1.19912 8.84652 1.65543 1.38323 9.95703 0 0 no +BCN-05_1 30.923379999999998 0 7.541860000000001 0 0.0458 0 0.6977899999999999 0 yes +BCN-06_1 1.04617 0.73856 16.33137 0 3.8311900000000003 0 0 30.488490000000002 yes +BCN-07_1 0.78523 0.9397200000000001 1.1858799999999998 0.04614 2.1836599999999997 0 0 0 no +BCN-08_1 5.91858 0 4.22955 1.03052 2.18967 9.45878 0.03982 7.70339 no +BCN-09_1 15.1537 0 4.46743 13.59588 1.6780700000000002 0 0.87669 6.3266599999999995 no +BCN-10_1 16.94331 0.8764799999999999 5.34459 0.5778300000000001 2.80688 18.11909 0 0 no +BCN-11_1 2.9614700000000003 0.22701 0 16.69331 3.77337 0 6.63238 8.543289999999999 no +PRIMM0001 2.2892200000000003 0.18943 1.62341 0.16787 0.20062 0 0 0.02033 no +PRIMM0003 2.45871 0.56126 0 1.2188 12.08977 0.09391 0 0.32582 yes +PRIMM0004 3.1204400000000003 0.16755 3.66638 0.00407 1.2556399999999999 0 0 0.46621 no +PRIMM0005 2.17355 0.22030999999999998 0.00241 16.47789 6.165109999999999 0 2.50152 0 yes +PRIMM0008 3.80271 0.01128 10.33772 1.28675 1.44902 0 2.3203 2.0390200000000003 yes +PRIMM0013 1.98383 0.10046000000000001 0.54105 0.47985 1.35546 0 0 0.66104 yes +PRIMM0017 0.07387 0.37373 0.01226 0.00182 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0 no +PRIMM0569 4.12121 10.01455 5.40233 0.12648 5.87456 0 0 1.03403 no +PRIMM0571 0.83783 0.04072 4.23118 1.6529 2.13627 0.284 0 1.2035 yes +PRIMM0573 18.601129999999998 0 0 9.68142 0.01259 0 0 0 yes +PRIMM0576 4.5776900000000005 0.57836 0 0.61474 1.2346 0 0 0 yes +PRIMM0590 0.23581 0.0084 0.8408899999999999 0 2.3900200000000003 0 0 0.02094 yes +PRIMM0594 1.79905 1.11734 2.23143 0 3.29756 0 0 0 yes +PRIMM0597 0.2609 0.0136 0.03489 0.05683 0.12415999999999999 0 0 0 no +PRIMM0601 0.35553 0.06017 1.3392899999999999 0 8.81142 0.8947799999999999 0 0.44695 no +PRIMM0610 8.485610000000001 0.12036 6.45565 0 1.40408 0 0 7.33362 yes +PRIMM0611 12.3834 5.82926 11.967139999999999 0 8.04238 0 0 0 no \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 feature_selection/test_1.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/feature_selection/test_1.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,138 @@ +Bacteroides_uniformis Ruminococcus_bicirculans Bacteroides_vulgatus 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0.36308 1.28984 0.05804 1.16023 0.13887 0 0.27531 no +3.32745 0 11.59629 0.46349 1.56306 0 0 0 no +0.37253 3.48459 0.9521 0.06029 5.84755 0 0 0 no +2.21393 0 18.59723 0 5.14259 0 0 2.21501 yes +9.0015 0.85868 2.36097 3.80023 6.07358 0 0.09585 5.33119 yes +6.56203 1.11364 4.27397 0.39407 3.39203 0 0 3.77995 no +0.04124 0 1.10593 0.02814 5.83806 0 0 0.2048 yes +1.13268 0.60941 4.59482 0 5.5391 0 0.11893 0 no +5.85833 0 0 15.34115 2.25758 0 0 0 yes +2.49269 0.0372 1.23203 1.23159 2.96266 0 0 0 no +4.12121 10.01455 5.40233 0.12648 5.87456 0 0 1.03403 no +0.83783 0.04072 4.23118 1.6529 2.13627 0.284 0 1.2035 yes +18.60113 0 0 9.68142 0.01259 0 0 0 yes +4.57769 0.57836 0 0.61474 1.2346 0 0 0 yes +0.23581 0.0084 0.84089 0 2.39002 0 0 0.02094 yes +1.79905 1.11734 2.23143 0 3.29756 0 0 0 yes +0.2609 0.0136 0.03489 0.05683 0.12416 0 0 0 no +0.35553 0.06017 1.33929 0 8.81142 0.89478 0 0.44695 no +8.48561 0.12036 6.45565 0 1.40408 0 0 7.33362 yes +12.3834 5.82926 11.96714 0 8.04238 0 0 0 no \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 ml_tool/ml_tool.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ml_tool/ml_tool.py Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,318 @@ +from pycaret.classification import setup, create_model, tune_model, pull +import subprocess +import itertools +import sys +import argparse +import pandas as pd +import json +import io + +def retrieve_results_from_hdc_folds(n_folds, text): + + split_text = text.splitlines() + n_folds = n_folds + df_list = [] + for i in range(n_folds): + for n, line in enumerate(split_text): + if f"Fold {i}" in split_text[n]: + df_list.append([float(split_text[n+2].split(":")[1]), 'NaN', float(split_text[n+5].split(":")[1]), float(split_text[n+4].split(":")[1]), float(split_text[n+3].split(":")[1]), "NaN", float(split_text[n+6].split(":")[1])]) + + df = pd.DataFrame(df_list, columns=["Accuracy", "AUC", "Recall", "Prec.", "F1", "Kappa", "MCC"]) + + mean_row = df.mean(numeric_only=True) + std_row = df.std(numeric_only=True) + + mean_df = mean_row.to_frame().T + mean_df['Fold'] = 'Mean' + + std_df = std_row.to_frame().T + std_df['Fold'] = 'Std' + + df = df.reset_index().rename(columns={'index': 'Fold'}) + + df_with_stats = pd.concat([df, mean_df, std_df], ignore_index=True) + + return df_with_stats + +def convert_value(val): + """Convert string to appropriate Python type.""" + val = val.strip() + if val.lower() == 'true': + return True + elif val.lower() == 'false': + return False + elif val.lower() == 'none': + return None + try: + if '.' in val: + return float(val) + else: + return int(val) + except ValueError: + return val + +def read_params(filename): + + print("Reading hyperparameters from:", filename) + """Read hyperparameter values from file.""" + params = {} + + with open(filename, 'r') as f: + for line in f: + parts = line.strip().split(',') + key = parts[0].strip() + values = [convert_value(val) for val in parts[1:]] + params[key] = values + return params + +def tune_hdc(tune_param, data, output_tabular=None, output_html=None): + combinations = list(itertools.product( + tune_param['dimensionality'], tune_param['levels'], tune_param['retrain'] + )) + + full_score, f1_score = {}, {} + + for n, combination in enumerate(combinations): + command = [ + "chopin2.py", "--input", data, + "--dimensionality", str(combination[0]), + "--kfolds", "5", + "--levels", str(combination[1]), + "--retrain", str(combination[2]) + ] + result = subprocess.run(command, capture_output=True, text=True) + + if result.returncode == 0: + text = result.stdout + df_scores = retrieve_results_from_hdc_folds(5, text) + + # Store the results for the current combination + full_score[n] = df_scores + # Get the mean F1 score from the results + mean_f1 = df_scores[df_scores['Fold'] == 'Mean']['F1'].iloc[0] + f1_score[n] = mean_f1 + + print(f"Combination {n}: {combination} -> Mean F1: {mean_f1}") + + # The user might want to see the output for each run, + # but saving all of them to the same file will overwrite. + # Let's save only the best one at the end. + else: + print(f"Command failed for combination {combination}:", result.stderr) + + if not f1_score: + print("No successful runs, cannot determine best parameters.") + return None + + max_key = max(f1_score, key=lambda k: f1_score[k]) + print(f"\nBest parameter combination key: {max_key} with F1 score: {f1_score[max_key]}") + + best_results = full_score[max_key] + + if output_tabular: + best_results.to_csv(output_tabular, sep='\t', index=False) + if output_html: + best_results.to_html(output_html, index=False) + + return best_results + + +def run_pycaret(algo=None, custom_para=None, tune_para=None, file_path=None, setup_param=None, target_label=None, metadata_file=None, output_tabular=None, output_html=None, dp_columns=None, param_txt=None): + + # print(target_label) + df = pd.read_csv(file_path, sep='\t') + df_metadata = pd.read_csv(metadata_file, sep='\t') + + dp_column_list = [df.columns.tolist()[int(i)-1] for i in dp_columns.split(',')] if dp_columns else [] + + if dp_column_list: + df = df.drop(columns=dp_column_list) + + # Index column drop removed + setup_dict = json.loads(setup_param) + + # Handle target_label (index or name) + try: + col_idx = int(target_label) - 1 + setup_dict['target'] = df_metadata.columns.tolist()[col_idx] + except ValueError: + setup_dict['target'] = target_label + + combine_df = pd.concat([df, df_metadata[setup_dict['target']]], axis=1) + + combine_df.to_csv("./training_data_with_target_columns.tsv", sep='\t', index=False) + + # Check for empty or too small dataframe before setup + if combine_df.empty or len(combine_df) < 2: + print("Error: Not enough samples after filtering for PyCaret setup. Please check your input data and parameters.") + sys.exit(1) + + if algo == 'hdc': + + file_path = "./training_data_with_target_columns.tsv" + if custom_para and not tune_para: + + custom_params = json.loads(custom_para) + command = ['chopin2.py', "--input", file_path, "--kfolds", "5"] + + for c, v in custom_params.items(): + command.append("--" + c) + command.append(str(v)) + + result = subprocess.run(command, capture_output=True, text=True) + print("--- HDC (chopin2.py) STDOUT ---") + print(result.stdout) + print("--- HDC (chopin2.py) STDERR ---") + print(result.stderr) + print("--- End HDC Output ---") + if result.returncode == 0: + text = result.stdout + df_scores = retrieve_results_from_hdc_folds(4, text) + if output_tabular: + df_scores.to_csv(output_tabular, sep='\t', index=False) + if output_html: + df_scores.to_html(output_html, index=False) + else: + print("Command failed:", result.stderr) + + elif tune_para: + params = read_params(param_txt) + result = tune_hdc(params, file_path, output_tabular=output_tabular, output_html=output_html) + print("Best Tune Result:\n", result) + + else: + command = ["chopin2.py", "--input", file_path, "--levels", "100", "--kfolds", "5"] + result = subprocess.run(command, capture_output=True, text=True) + if result.returncode == 0: + text = result.stdout + df_scores =retrieve_results_from_hdc_folds(5, text) + if output_tabular: + df_scores.to_csv(output_tabular, sep='\t', index=False) + if output_html: + df_scores.to_html(output_html, index=False) + else: + print("Command failed:", result.stderr) + + else: + clf = setup(data=combine_df, **setup_dict) + if custom_para: + custom_params = json.loads(custom_para) + model = create_model(algo, **custom_params) + df_result = pull() + res = df_result.T['Mean'] + print(res) + with open('logs.log', 'a') as f: + f.write(str(res) + '\n') + # Add three-letter classifier suffix (algorithm + 'C') to columns except 'Fold' + algo_abbr = (str(algo).upper()[:2] + 'C') if algo else "ALC" + df_result.columns = [col if col == 'Fold' else f"{col}_{algo_abbr}" for col in df_result.columns] + if output_tabular: + df_result.to_csv(output_tabular, sep='\t') + if output_html: + df_result.to_html(output_html) + + elif tune_para: + params = read_params(param_txt) + # Generate all combinations of hyperparameters + keys, values = zip(*params.items()) + combinations = [dict(zip(keys, v)) for v in itertools.product(*values)] + results = [] + f1_scores = [] + for idx, comb in enumerate(combinations): + print(f"Tuning combination {idx+1}/{len(combinations)}: {comb}") + try: + model = create_model(algo) + tuned_model = tune_model(model, custom_grid={k: [v] for k, v in comb.items()}) + df_result = pull() + res = df_result.T['Mean'] + print(f"Result for combination {comb}:\n{res}") + with open('logs.log', 'a') as f: + f.write(f"Combination {comb}: {str(res)}\n") + # Add three-letter classifier suffix (algorithm + 'C') to columns except 'Fold' + algo_abbr = (str(algo).upper()[:2] + 'C') if algo else "ALC" + df_result.columns = [col if col == 'Fold' else f"{col}_{algo_abbr}" for col in df_result.columns] + results.append(df_result) + # Try to get F1 score for ranking + try: + f1 = res['F1'] + except Exception: + f1 = None + f1_scores.append(f1) + except ValueError as e: + print(f"Skipping invalid combination {comb}: {e}") + with open('logs.log', 'a') as f: + f.write(f"Skipping invalid combination {comb}: {e}\n") + results.append(pd.DataFrame()) # Add empty dataframe to keep indices aligned + f1_scores.append(None) + + # Select best result by F1 score (if available) + if not any(f1 is not None for f1 in f1_scores): + print("No successful tuning runs. Cannot determine best parameters.") + # Exit or handle as appropriate + if output_tabular: + pd.DataFrame().to_csv(output_tabular, sep='\t') + if output_html: + pd.DataFrame().to_html(output_html) + return + + best_idx = max((i for i, f1 in enumerate(f1_scores) if f1 is not None), key=lambda i: f1_scores[i]) + best_result = results[best_idx] + best_comb = combinations[best_idx] + best_f1 = f1_scores[best_idx] + + print(f"\nBest parameter combination: {best_comb} with F1 score: {best_f1}") + with open('logs.log', 'a') as f: + f.write(f"Best combination: {best_comb} F1: {best_f1}\n") + if output_tabular: + best_result.to_csv(output_tabular, sep='\t') + if output_html: + best_result.to_html(output_html) + + else: + model = create_model(algo) + df_result = pull() + res = df_result.T['Mean'] + + with open('logs.log', 'a') as f: + f.write(str(res) + '\n') + # Add three-letter classifier suffix (algorithm + 'C') to columns except 'Fold' + algo_abbr = (str(algo).upper()[:2] + 'C') if algo else "ALC" + df_result.columns = [col if col == 'Fold' else f"{col}_{algo_abbr}" for col in df_result.columns] + if output_tabular: + df_result.to_csv(output_tabular, sep='\t') + if output_html: + df_result.to_html(output_html) + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description='Run PyCaret ML setup.') + parser.add_argument('--algo', type=str, required=False, help='Algorithm to run') + parser.add_argument('--data_file', type=str, required=True, help='Path to data file') + parser.add_argument('--metadata_file', type=str, required=True, help='Path to metadata file') + parser.add_argument('--custom_para', required=False, default=None, help='Custom hyperparameters (JSON string)') + parser.add_argument('--tune_para', required=False, default=None, help='Flag for tuning hyperparameters') + parser.add_argument('--setup', required=True, type=str, help='Setup parameters as JSON string') + parser.add_argument('--target_label', required=False, type=str, help='Name of the target label Column') + parser.add_argument('--output_tabular', required=False, type=str, help='Path to output tabular file') + parser.add_argument('--output_html', required=False, type=str, help='Path to output HTML file') + parser.add_argument('--dp_columns', required=False, type=str, help='Columns to drop from training data') + parser.add_argument('--param_file', type=str, required=False, help='Path to parameter file') + + + args = parser.parse_args() + + run_pycaret( + algo=args.algo, + file_path=args.data_file, + custom_para=args.custom_para, + tune_para=args.tune_para, + setup_param=args.setup, + target_label=args.target_label, + metadata_file=args.metadata_file, + output_tabular=args.output_tabular, + output_html=args.output_html, + dp_columns=args.dp_columns, + param_txt=args.param_file + ) + + + diff -r 000000000000 -r 76a728a52df6 ml_tool/test-data/out.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ml_tool/test-data/out.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,7 @@ +Fold Accuracy AUC Recall Prec. F1 Kappa MCC +0 0.6364 NaN 0.6364 0.6277 0.6266 NaN 0.2256 +1 0.5909 NaN 0.5909 0.5657 0.5452 NaN 0.0872 +2 0.6364 NaN 0.6364 0.6529 0.6394 NaN 0.2774 +3 0.5909 NaN 0.5909 0.5985 0.5935 NaN 0.1688 +Mean 0.61365 0.61365 0.6112 0.601175 0.18974999999999997 +Std 0.026269437248127962 0.026269437248127962 0.03760620516173718 0.042030494881692734 0.08149263770427362 diff -r 000000000000 -r 76a728a52df6 ml_tool/test-data/test.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ml_tool/test-data/test.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,140 @@ +sample_id Bacteroides_uniformis Ruminococcus_bicirculans Bacteroides_vulgatus Bacteroides_dorei Faecalibacterium_prausnitzii Bacteroides_plebeius Bacteroides_salyersiae Bacteroides_stercoris Eubacterium_eligens Prevotella_sp_CAG_279 Bacteroides_thetaiotaomicron Parabacteroides_merdae Bacteroides_caccae Bacteroides_cellulosilyticus Butyrivibrio_crossotus Alistipes_shahii Coprococcus_eutactus Paraprevotella_xylaniphila Anaerostipes_hadrus Odoribacter_splanchnicus Parabacteroides_sp_CAG_409 Ruminococcus_bromii Fusicatenibacter_saccharivorans Parasutterella_excrementihominis Prevotella_sp_885 Bacteroides_sp_CAG_144 Bacteroides_xylanisolvens Phascolarctobacterium_succinatutens Alistipes_indistinctus Oscillibacter_sp_57_20 Eubacterium_sp_CAG_251 Parabacteroides_distasonis Holdemanella_biformis Slackia_isoflavoniconvertens Coprococcus_comes Eubacterium_siraeum Ruminococcus_lactaris Bacteroides_pectinophilus Gemmiger_formicilis Bifidobacterium_pseudocatenulatum Blautia_wexlerae Eubacterium_sp_CAG_38 Alistipes_finegoldii Eubacterium_hallii Firmicutes_bacterium_CAG_83 Bacteroides_clarus Turicimonas_muris Dorea_formicigenerans Roseburia_faecis Ruminococcus_torques Roseburia_inulinivorans Firmicutes_bacterium_CAG_170 Coprobacter_fastidiosus Dorea_longicatena Coprococcus_catus Butyricimonas_synergistica Eubacterium_rectale Paraprevotella_clara Collinsella_aerofaciens Proteobacteria_bacterium_CAG_139 Candidatus_Gastranaerophilales_bacterium Bacteroides_massiliensis Escherichia_coli Eubacterium_ramulus Barnesiella_intestinihominis Agathobaculum_butyriciproducens Roseburia_sp_CAG_303 Coprobacter_secundus Roseburia_hominis Victivallis_vadensis Butyricimonas_virosa Bilophila_wadsworthia Firmicutes_bacterium_CAG_110 Firmicutes_bacterium_CAG_95 Roseburia_sp_CAG_471 Alistipes_putredinis Flavonifractor_plautii Roseburia_sp_CAG_182 Eubacterium_ventriosum Eubacterium_sp_CAG_274 Firmicutes_bacterium_CAG_238 Holdemania_filiformis Clostridium_sp_CAG_58 Clostridium_sp_CAG_167 Lawsonibacter_asaccharolyticus Ruthenibacterium_lactatiformans Bacteroides_nordii Blautia_obeum Lachnospira_pectinoschiza Intestinimonas_butyriciproducens Bacteroides_ovatus Eubacterium_sp_CAG_180 Prevotella_sp_CAG_1031 Prevotella_sp_CAG_485 Alistipes_inops Bacteroides_faecis Bacteroides_faecis_CAG_32 Hafnia_alvei Acidaminococcus_intestini Bacteroides_finegoldii Bifidobacterium_adolescentis Phascolarctobacterium_sp_CAG_266 Alistipes_timonensis Akkermansia_muciniphila Roseburia_intestinalis Oscillibacter_sp_CAG_241 Bacteroides_fragilis Bacteroides_eggerthii Alistipes_onderdonkii Ruminococcaceae_bacterium_D5 Streptococcus_thermophilus Asaccharobacter_celatus Bifidobacterium_bifidum Phascolarctobacterium_faecium Catenibacterium_mitsuokai Methanobrevibacter_smithii Bifidobacterium_longum Streptococcus_parasanguinis Anaerotruncus_sp_CAG_528 Carnobacterium_divergens Adlercreutzia_equolifaciens Methanosphaera_stadtmanae Anaerotruncus_colihominis Cloacibacillus_porcorum Haemophilus_sp_HMSC71H05 Streptococcus_salivarius Roseburia_sp_CAG_309 Faecalitalea_cylindroides Haemophilus_parainfluenzae Streptococcus_sp_A12 Oscillibacter_sp_PC13 Parabacteroides_johnsonii Lactobacillus_rogosae Clostridium_sp_CAG_253 Veillonella_parvula Pseudomonas_lundensis Streptococcus_australis Gemella_sanguinis Harryflintia_acetispora Firmicutes_bacterium_CAG_94 Streptococcus_infantis Ruminococcus_gnavus Prevotella_copri Desulfovibrio_piger Acidaminococcus_fermentans Klebsiella_oxytoca Bacteroides_fluxus Desulfovibrionaceae_bacterium Rothia_dentocariosa Veillonella_atypica Rothia_mucilaginosa Veillonella_dispar Ruminococcaceae_bacterium_D16 Megamonas_funiformis Veillonella_infantium Streptococcus_mitis Dielma_fastidiosa Streptococcus_oralis Oribacterium_parvum Citrobacter_freundii Ruminococcus_callidus Streptococcus_anginosus_group Clostridium_asparagiforme Streptococcus_sanguinis Collinsella_intestinalis Megasphaera_micronuciformis Staphylococcus_aureus Streptococcus_gordonii Clostridium_lavalense Clostridium_spiroforme Bacteroides_intestinalis Faecalicoccus_pleomorphus Veillonella_tobetsuensis Clostridium_symbiosum Parabacteroides_goldsteinii Megamonas_hypermegale Actinomyces_sp_oral_taxon_181 Fusobacterium_periodonticum Oribacterium_sinus Actinomyces_sp_S6_Spd3 Aggregatibacter_aphrophilus Firmicutes_bacterium_CAG_145 Clostridium_hiranonis Ruminococcus_obeum_CAG_39 Clostridium_sp_CAG_299 Enterobacter_cloacae_complex Succinatimonas_hippei Bacteroides_sp_OM08_11 Dialister_succinatiphilus Clostridium_leptum Prevotella_sp_CAG_1185 Pyramidobacter_piscolens Clostridium_clostridioforme Pseudoflavonifractor_sp_An184 Sellimonas_intestinalis Eggerthella_lenta Lactobacillus_paragasseri Pyramidobacter_sp_C12_8 Eisenbergiella_tayi Blautia_sp_CAG_257 Gordonibacter_pamelaeae Clostridium_innocuum Lactobacillus_fermentum Prevotella_corporis Clostridium_citroniae Christensenella_minuta Erysipelatoclostridium_ramosum Dorea_sp_CAG_317 Lactobacillus_vaginalis Lactobacillus_gasseri Clostridium_bolteae Blautia_coccoides Enterorhabdus_caecimuris Blautia_producta Clostridium_perfringens Streptococcus_vestibularis Blastocystis_sp_subtype_1 Clostridium_bolteae_CAG_59 Fusobacterium_ulcerans Allisonella_histaminiformans Streptococcus_mutans Actinomyces_sp_HPA0247 Tyzzerella_nexilis Streptococcus_sp_F0442 Klebsiella_variicola Lactobacillus_sakei Actinomyces_sp_ICM47 Klebsiella_quasipneumoniae Prevotella_sp_CAG_873 Prevotella_sp_CAG_520 Prevotella_sp_AM42_24 Klebsiella_pneumoniae Prevotella_stercorea Butyrivibrio_sp_CAG_318 Clostridium_disporicum Ruminococcus_sp_CAG_488 Fusobacterium_nucleatum Clostridium_baratii Intestinibacter_bartlettii Veillonella_rogosae Campylobacter_showae Clostridium_paraputrificum Anaeromassilibacillus_sp_An250 Campylobacter_gracilis Bacteroides_coprocola Clostridium_sp_CAG_242 Porphyromonas_gingivalis Comamonas_kerstersii Enterococcus_faecalis Pseudomonas_aeruginosa_group Prevotella_disiens Lawsonella_clevelandensis Enorma_massiliensis Bacteroides_heparinolyticus Parvimonas_micra Flavonifractor_sp_An100 Lactobacillus_delbrueckii Corynebacterium_argentoratense Clostridium_aldenense Lautropia_mirabilis Streptococcus_cristatus Fretibacterium_fastidiosum Peptostreptococcus_stomatis Sanguibacteroides_justesenii Odoribacter_laneus Alistipes_sp_An31A Bacteroides_sp_CAG_598 Hungatella_hathewayi Lachnoclostridium_sp_An14 Parabacteroides_gordonii Anaerofilum_sp_An201 Lachnoclostridium_sp_An131 Eisenbergiella_massiliensis Massiliomicrobiota_timonensis Turicibacter_sanguinis Flavonifractor_sp_An306 Bacteroides_stercorirosoris Dialister_invisus Coprobacillus_cateniformis Campylobacter_hominis Actinomyces_radicidentis Actinomyces_oris Actinomyces_sp_oral_taxon_180 Atopobium_deltae Faecalicatena_orotica Peptoniphilus_harei Propionibacterium_acidifaciens Corynebacterium_amycolatum Lactobacillus_reuteri Clostridium_ventriculi Blautia_hydrogenotrophica Hafnia_paralvei Scardovia_wiggsiae Lactobacillus_plantarum Lactobacillus_rhamnosus Peptococcus_niger Actinomyces_johnsonii Enterococcus_faecium Enterococcus_casseliflavus Actinomyces_odontolyticus Weissella_cibaria Atopobium_parvulum Leuconostoc_mesenteroides Anaerofustis_stercorihominis Candidatus_Stoquefichus_sp_KLE1796 Actinomyces_sp_HMSC035G02 Actinomyces_sp_oral_taxon_170 Veillonella_sp_T11011_6 Eubacterium_sp_OM08_24 Actinomyces_naeslundii Clostridium_methylpentosum Actinomyces_graevenitzii Actinobaculum_sp_oral_taxon_183 Cutibacterium_acnes Actinomyces_sp_oral_taxon_448 Bifidobacterium_catenulatum Bifidobacterium_animalis Ruminococcus_sp_CAG_330 Streptococcus_lutetiensis Eubacterium_callanderi Streptococcus_macedonicus Bacteroides_coprophilus Bacteroides_sp_CAG_443 Weissella_confusa Bifidobacterium_dentium Romboutsia_ilealis Olsenella_uli Monoglobus_pectinilyticus Citrobacter_youngae Enterococcus_durans Enterococcus_hirae Catabacter_hongkongensis Olsenella_scatoligenes Actinomyces_massiliensis Romboutsia_hominis Actinomyces_sp_oral_taxon_414 Lactonifactor_longoviformis Corynebacterium_durum Gemella_morbillorum Actinomyces_hongkongensis Clostridium_scindens Enterobacter_bugandensis Bifidobacterium_pullorum Anaerotignum_lactatifermentans Akkermansia_glycaniphila Lachnoclostridium_sp_An138 Lachnoclostridium_sp_An118 Bifidobacterium_gallinarum Eubacterium_limosum Bifidobacterium_saeculare Lactobacillus_salivarius Actinomyces_turicensis Porphyromonas_asaccharolytica Lactobacillus_paraplantarum Leuconostoc_kimchii Parascardovia_denticolens Firmicutes_bacterium_CAG_555 Lactococcus_lactis Lactobacillus_mucosae Clostridium_celatum Mogibacterium_diversum Atopobium_rimae Pseudopropionibacterium_propionicum Prevotella_sp_CAG_1124 Lactobacillus_oris Lactobacillus_crispatus Lachnospiraceae_bacterium_oral_taxon_096 Alloscardovia_omnicolens Ruminococcus_sp_CAG_624 Cardiobacterium_valvarum Firmicutes_bacterium_CAG_534 Pseudoramibacter_alactolyticus Solobacterium_moorei Eubacteriaceae_bacterium_CHKCI005 Eubacterium_sulci Desulfovibrio_fairfieldensis Eubacterium_brachy Mogibacterium_timidum Gemella_haemolysans Scardovia_inopinata Actinomyces_viscosus Mogibacterium_pumilum Eubacterium_saphenum Eubacterium_nodatum Bifidobacterium_moukalabense Brachyspira_sp_CAG_700 Enterococcus_gallinarum Citrobacter_koseri Streptococcus_pasteurianus Blautia_hansenii Eubacterium_sp_An11 Megasphaera_sp_DISK_18 Anaerostipes_caccae Clostridium_saccharolyticum Lachnoclostridium_sp_An76 Citrobacter_pasteurii Clostridium_sp_D5 Megasphaera_sp_MJR8396C Denitrobacterium_detoxificans Bacteroides_sp_43_108 Prevotella_oralis Raoultella_ornithinolytica Raoultella_planticola Selenomonas_noxia Negativicoccus_succinicivorans Lactobacillus_acidophilus Streptococcus_downei Lactobacillus_saerimneri Lactobacillus_antri Anaerococcus_vaginalis Clostridium_hylemonae Corynebacterium_pseudodiphtheriticum Streptococcus_massiliensis Lactobacillus_ultunensis Slackia_exigua Aeriscardovia_aeriphila Actinomyces_meyeri Clostridiales_bacterium_CHKCI006 Finegoldia_magna Peptoniphilus_sp_HMSC062D09 Lactobacillus_brevis Firmicutes_bacterium_CAG_424 Oxalobacter_formigenes Blautia_sp_N6H1_15 Absiella_dolichum Flavonifractor_sp_An10 Fusobacterium_sp_CAG_439 Eubacterium_dolichum_CAG_375 Pseudoflavonifractor_capillosus Atopobium_minutum Acinetobacter_johnsonii Dialister_sp_CAG_357 Pseudomonas_putida_group Bacteroides_salanitronis Ruminococcus_sp_CAG_579 Clostridium_sp_CAG_510 Clostridium_sp_CAG_413 Rothia_sp Streptococcus_milleri Bacteroides_galacturonicus Clostridium_sp_CAG_411 Jonquetella_anthropi Bacteroides_sp_CAG_530 Streptococcus_pyogenes Bacteroides_faecichinchillae Megamonas_funiformis_CAG_377 Dorea_sp_D27 Lactobacillus_fuchuensis Escherichia_marmotae Anaerococcus_lactolyticus Peptoniphilus_lacrimalis Parvimonas_sp_KA00067 Actinotignum_schaalii Varibaculum_cambriense Lactobacillus_kefiri Coprobacter_sp Lactobacillus_parabuchneri Enterococcus_mundtii Lactobacillus_parakefiri Rothia_aeria Leuconostoc_citreum Lactobacillus_silagei Lactobacillus_ruminis Lactobacillus_kefiranofaciens Actinomyces_georgiae Clostridium_sp_CAG_964 Klebsiella_michiganensis Anaeroglobus_geminatus Prevotella_sp_CAG_891 Leuconostoc_gelidum Granulicatella_adiacens Prevotella_sp_CAG_5226 Ruminococcus_sp_CAG_563 Clostridium_sp_CAG_590 Carnobacterium_maltaromaticum Propionibacterium_freudenreichii Clostridium_sp_7_2_43FAA Terrisporobacter_othiniensis Clostridium_butyricum Bifidobacterium_breve Paeniclostridium_sordellii Actinomyces_sp_oral_taxon_897 Kluyvera_ascorbata Citrobacter_werkmanii Providencia_alcalifaciens Bacillus_coagulans Firmicutes_bacterium_CAG_646 Blautia_sp_An249 Peptoniphilus_coxii Streptococcus_sinensis Lactobacillus_kalixensis Leuconostoc_carnosum Streptococcus_sobrinus Bifidobacterium_angulatum Weissella_viridescens Erysipelothrix_larvae Bifidobacterium_pseudolongum Citrobacter_portucalensis Acinetobacter_ursingii Stenotrophomonas_maltophilia Delftia_acidovorans Elizabethkingia_bruuniana Lactococcus_raffinolactis Enterococcus_gilvus Lactobacillus_pontis Streptococcus_agalactiae Stomatobaculum_longum Streptococcus_viridans Dialister_pneumosintes Prevotella_intermedia Klebsiella_aerogenes Acinetobacter_guillouiae Prevotella_sp_oral_taxon_376 Trichococcus_flocculiformis Butyribacterium_methylotrophicum Paraclostridium_bifermentans Lactobacillus_curvatus Ruminococcus_sp_CAG_403 Rikenella_microfusus Enterococcus_avium Acinetobacter_radioresistens Staphylococcus_equorum Brachybacterium_alimentarium Brevibacterium_aurantiacum Serratia_marcescens Enterococcus_malodoratus Enterococcus_devriesei Enterococcus_pseudoavium Corynebacterium_casei Corynebacterium_variabile Lactobacillus_johnsonii Firmicutes_bacterium_CAG_791 Mitsuokella_jalaludinii Mitsuokella_multacida Anaerobiospirillum_thomasii Campylobacter_concisus Abiotrophia_sp_HMSC24B09 Clostridium_cadaveris Morganella_morganii Corynebacterium_aurimucosum Streptococcus_sp_HPH0090 Prevotella_buccae Desulfovibrio_sp_MES5 Marvinbryantia_formatexigens Bifidobacterium_scardovii Fusobacterium_varium Butyricicoccus_pullicaecorum Lactobacillus_buchneri Proteus_hauseri Gemmiger_sp_An87 Gemmiger_sp_An50 Alistipes_sp_CAG_831 Bacteroides_sp_CAG_633 Streptococcus_sp_HMSC071D03 Lactobacillus_amylovorus Prevotella_buccalis Pediococcus_acidilactici Pediococcus_pentosaceus Clostridioides_difficile Rhodococcus_fascians Alistipes_sp_An66 Actinomyces_cardiffensis Clostridiales_bacterium_1_7_47FAA Prevotella_sp_CAG_1320 Saccharomyces_cerevisiae Lactococcus_petauri Lactococcus_garvieae Prevotella_sp_CAG_1092 Lactococcus_piscium Peptostreptococcus_anaerobius Prevotella_timonensis Proteus_mirabilis Prevotella_melaninogenica Shuttleworthia_satelles Robinsoniella_sp_RHS Prevotella_salivae Eubacterium_infirmum Leuconostoc_pseudomesenteroides Corynebacterium_accolens Corynebacterium_matruchotii Lactobacillus_gastricus Corynebacterium_riegelii Escherichia_albertii Solibacillus_kalamii Solibacillus_silvestris Megasphaera_elsdenii Streptococcus_peroris Prevotella_oris Eggerthia_catenaformis Providencia_rettgeri Prevotella_denticola Nocardia_otitidiscaviarum Prevotella_nigrescens Porphyromonas_uenonis Prevotella_histicola Bacteroides_sp_CAG_661 Methanomassiliicoccales_archaeon_RumEn_M1 Bacteroides_sp_CAG_927 Porphyromonas_sp_HMSC065F10 Staphylococcus_epidermidis Ralstonia_sp_MD27 label +BCN-01_1 21.67335 12.60113 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27708392 78376762 11756514300 150 150 SRR3992955 Paolo_Manghi 125.1 +SRR3992956 LiuW_2016 SRR3992956 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 43599100 6539865000 150 150 SRR3992956 Paolo_Manghi 128.12 +SRR3992957 LiuW_2016 SRR3992957 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 34782688 5217403200 150 150 SRR3992957 Paolo_Manghi 166.7 +SRR3992958 LiuW_2016 SRR3992958 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 54269420 8140413000 150 150 SRR3992958 Paolo_Manghi 78.52 +SRR3992959 LiuW_2016 SRR3992959 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 64648644 9697296600 150 150 SRR3992959 Paolo_Manghi 89.74 +SRR3992960 LiuW_2016 SRR3992960 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 40220748 6033112200 150 150 SRR3992960 Paolo_Manghi 104.16 +SRR3992961 LiuW_2016 SRR3992961 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 82546276 12009412152 126 150 SRR3992961 Paolo_Manghi 76.12 +SRR3992962 LiuW_2016 SRR3992962 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 65661186 9663515484 126 150 SRR3992962 Paolo_Manghi 82.53 +SRR3992963 LiuW_2016 SRR3992963 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 44154270 6459391572 126 150 SRR3992963 Paolo_Manghi 93.74 +SRR3992964 LiuW_2016 SRR3992964 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 32447746 4867161900 150 150 SRR3992964 Paolo_Manghi 86.53 +SRR3992965 LiuW_2016 SRR3992965 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 88086108 13212916200 150 150 SRR3992965 Paolo_Manghi 105.76 +SRR3992966 LiuW_2016 SRR3992966 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 43384542 6507681300 150 150 SRR3992966 Paolo_Manghi 70.51 +SRR3992967 LiuW_2016 SRR3992967 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 62844638 9426695700 150 150 SRR3992967 Paolo_Manghi 97.75 +SRR3992968 LiuW_2016 SRR3992968 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 43738436 6560765400 150 150 SRR3992968 Paolo_Manghi 99.65 +SRR3992969 LiuW_2016 SRR3992969 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 107831094 16018041780 126 150 SRR3992969 Paolo_Manghi 208.83 +SRR3992970 LiuW_2016 SRR3992970 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 41504748 6168729624 126 150 SRR3992970 Paolo_Manghi 147.1 +SRR3992971 LiuW_2016 SRR3992971 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 62024590 8543619274 125 150 SRR3992971 Paolo_Manghi 156.55 +SRR3992972 LiuW_2016 SRR3992972 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 42672324 6400848600 150 150 SRR3992972 Paolo_Manghi 159.5 +SRR3992973 LiuW_2016 SRR3992973 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 130254616 19538192400 150 150 SRR3992973 Paolo_Manghi 134.2 +SRR3992974 LiuW_2016 SRR3992974 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 38469236 5770385400 150 150 SRR3992974 Paolo_Manghi 209.86 +SRR3992975 LiuW_2016 SRR3992975 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 37260382 5589057300 150 150 SRR3992975 Paolo_Manghi 111.2 +SRR3992976 LiuW_2016 SRR3992976 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 37093368 5564005200 150 150 SRR3992976 Paolo_Manghi 124.6 +SRR3992977 LiuW_2016 SRR3992977 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 36293988 5444098200 150 150 SRR3992977 Paolo_Manghi 216.2 +SRR3992978 LiuW_2016 SRR3992978 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 63939470 9027440026 125 150 SRR3992978 Paolo_Manghi 167.8 +SRR3992979 LiuW_2016 SRR3992979 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 42545206 6381780900 150 150 SRR3992979 Paolo_Manghi 117.8 +SRR3992980 LiuW_2016 SRR3992980 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 50954622 7246675442 125 150 SRR3992980 Paolo_Manghi 46.85 +SRR3992981 LiuW_2016 SRR3992981 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 58568686 8150639550 125 150 SRR3992981 Paolo_Manghi 101.95 +SRR3992982 LiuW_2016 SRR3992982 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 35619256 5318867328 126 150 SRR3992982 Paolo_Manghi 56.05 +SRR3992983 LiuW_2016 SRR3992983 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 39630138 5944520700 150 150 SRR3992983 Paolo_Manghi 304.4 +SRR3992984 LiuW_2016 SRR3992984 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 50284672 7173167082 125 150 SRR3992984 Paolo_Manghi 108.95 +SRR3992985 LiuW_2016 SRR3992985 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 110446032 15917332176 126 150 SRR3992985 Paolo_Manghi 81.3 +SRR3992986 LiuW_2016 SRR3992986 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 46408432 6828053616 126 150 SRR3992986 Paolo_Manghi 418 +SRR3992987 LiuW_2016 SRR3992987 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 181557884 22876293384 126 126 SRR3992987 Paolo_Manghi 95.05 +SRR3992988 LiuW_2016 SRR3992988 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 44247666 6637149900 150 150 SRR3992988 Paolo_Manghi 87 +SRR3992989 LiuW_2016 SRR3992989 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 42365764 6026353950 125 150 SRR3992989 Paolo_Manghi 158.54 +SRR3992990 LiuW_2016 SRR3992990 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 67393674 10109051100 150 150 SRR3992990 Paolo_Manghi 126.07 +SRR3992991 LiuW_2016 SRR3992991 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 193607438 28769574948 126 150 SRR3992991 Paolo_Manghi 123.55 +SRR3992992 LiuW_2016 SRR3992992 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 32956896 4864216992 126 150 SRR3992992 Paolo_Manghi 83.61 +SRR3992993 LiuW_2016 SRR3992993 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 72036280 10429200720 126 150 SRR3992993 Paolo_Manghi 134.1 +SRR3992994 LiuW_2016 SRR3992994 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 40329806 5626804050 125 150 SRR3992994 Paolo_Manghi 202 +SRR3992995 LiuW_2016 SRR3992995 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 77807568 11548861824 126 150 SRR3992995 Paolo_Manghi 48.68 +SRR3992996 LiuW_2016 SRR3992996 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37433788 5235064116 125 150 SRR3992996 Paolo_Manghi 83.07 +SRR3992997 LiuW_2016 SRR3992997 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 70848376 10373864112 126 150 SRR3992997 Paolo_Manghi 106.5 +SRR3992998 LiuW_2016 SRR3992998 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 68869128 10215484416 126 150 SRR3992998 Paolo_Manghi 302.95 +SRR3992999 LiuW_2016 SRR3992999 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 85952440 12892866000 150 150 SRR3992999 Paolo_Manghi 90.6 +SRR3993000 LiuW_2016 SRR3993000 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 56078692 7550371894 125 125 SRR3993000 Paolo_Manghi 90.03 +SRR3993001 LiuW_2016 SRR3993001 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 57493562 8624034300 150 150 SRR3993001 Paolo_Manghi 68.7 +SRR3993002 LiuW_2016 SRR3993002 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 60532296 8225654200 125 125 SRR3993002 Paolo_Manghi 147.27 +SRR3993003 LiuW_2016 SRR3993003 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 52714170 7357813702 125 150 SRR3993003 Paolo_Manghi 174.5 +SRR3993004 LiuW_2016 SRR3993004 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 49572892 7435933800 150 150 SRR3993004 Paolo_Manghi 148.6 +SRR3993005 LiuW_2016 SRR3993005 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 80015598 11924989668 126 150 SRR3993005 Paolo_Manghi 74.9 +SRR3993006 LiuW_2016 SRR3993006 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 39770632 5965594800 150 150 SRR3993006 Paolo_Manghi 107.55 +SRR3993007 LiuW_2016 SRR3993007 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 57170972 8390789496 126 150 SRR3993007 Paolo_Manghi 76.7 +SRR3993008 LiuW_2016 SRR3993008 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37886052 5682907800 150 150 SRR3993008 Paolo_Manghi 76.2 +SRR3993009 LiuW_2016 SRR3993009 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 40074110 5849530644 126 150 SRR3993009 Paolo_Manghi 74.1 +SRR3993010 LiuW_2016 SRR3993010 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 37899142 5684871300 150 150 SRR3993010 Paolo_Manghi 113.1 +SRR3993011 LiuW_2016 SRR3993011 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 36444756 5408561880 126 150 SRR3993011 Paolo_Manghi 117.4 +SRR3993012 LiuW_2016 SRR3993012 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 79729538 11749259052 126 150 SRR3993012 Paolo_Manghi 90.4 +SRR3993013 LiuW_2016 SRR3993013 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 72365638 10754632308 126 150 SRR3993013 Paolo_Manghi 56.4 +SRR3993014 LiuW_2016 SRR3993014 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 65522780 9828417000 150 150 SRR3993014 Paolo_Manghi 40.6 +SRR3993015 LiuW_2016 SRR3993015 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 59676656 8951498400 150 150 SRR3993015 Paolo_Manghi 123.65 +SRR3993016 LiuW_2016 SRR3993016 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 58508914 8657611212 126 150 SRR3993016 Paolo_Manghi 67.4 +SRR3993017 LiuW_2016 SRR3993017 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 38185330 5727799500 150 150 SRR3993017 Paolo_Manghi 59.85 +SRR3993018 LiuW_2016 SRR3993018 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 63578668 9189995688 126 150 SRR3993018 Paolo_Manghi 22.8 +SRR3993019 LiuW_2016 SRR3993019 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 46867926 6945887940 126 150 SRR3993019 Paolo_Manghi 130.5 +SRR3993020 LiuW_2016 SRR3993020 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 57445366 8434896804 126 150 SRR3993020 Paolo_Manghi 114.3 +SRR3993021 LiuW_2016 SRR3993021 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 49443318 7416497700 150 150 SRR3993021 Paolo_Manghi 38.95 +SRR3993022 LiuW_2016 SRR3993022 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 64086092 9558530280 126 150 SRR3993022 Paolo_Manghi 116.1 +SRR3993023 LiuW_2016 SRR3993023 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 60882172 9066744792 126 150 SRR3993023 Paolo_Manghi 44.7 +SRR3993024 LiuW_2016 SRR3993024 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 39841842 5852812236 126 150 SRR3993024 Paolo_Manghi 174.85 +SRR3993025 LiuW_2016 SRR3993025 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37180160 5577024000 150 150 SRR3993025 Paolo_Manghi 81.11 +SRR3993026 LiuW_2016 SRR3993026 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 34047852 5102996088 126 150 SRR3993026 Paolo_Manghi 99.14 +SRR3993027 LiuW_2016 SRR3993027 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 29156322 4351368972 126 150 SRR3993027 Paolo_Manghi 94.63 +SRR3993028 LiuW_2016 SRR3993028 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 22673124 3400968600 150 150 SRR3993028 Paolo_Manghi 100.04 +SRR3993029 LiuW_2016 SRR3993029 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 28195206 4229280900 150 150 SRR3993029 Paolo_Manghi 91.93 +SRR3993030 LiuW_2016 SRR3993030 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 75342254 11301338100 150 150 SRR3993030 Paolo_Manghi 96.43 +SRR3993031 LiuW_2016 SRR3993031 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 65267646 9790146900 150 150 SRR3993031 Paolo_Manghi 100.04 +SRR3993032 LiuW_2016 SRR3993032 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 57174816 7693480900 125 125 SRR3993032 Paolo_Manghi 94.5 +SRR3993033 LiuW_2016 SRR3993033 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 43980074 6597011100 150 150 SRR3993033 Paolo_Manghi 116.26 +SRR3993034 LiuW_2016 SRR3993034 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 56041196 8406179400 150 150 SRR3993034 Paolo_Manghi 106.35 +SRR3993035 LiuW_2016 SRR3993035 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 108443032 16266454800 150 150 SRR3993035 Paolo_Manghi 114.46 +SRR3993036 LiuW_2016 SRR3993036 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 39847704 5977155600 150 150 SRR3993036 Paolo_Manghi 82.91 +SRR3993037 LiuW_2016 SRR3993037 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 67201156 10080173400 150 150 SRR3993037 Paolo_Manghi 114.46 +SRR3993038 LiuW_2016 SRR3993038 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 36435938 5465390700 150 150 SRR3993038 Paolo_Manghi 89.22 +SRR3993039 LiuW_2016 SRR3993039 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 27438600 4115790000 150 150 SRR3993039 Paolo_Manghi 112.65 +SRR3993040 LiuW_2016 SRR3993040 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 72434026 10865103900 150 150 SRR3993040 Paolo_Manghi 95.53 +SRR3993041 LiuW_2016 SRR3993041 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 86032132 12904819800 150 150 SRR3993041 Paolo_Manghi 98.23 +SRR3993042 LiuW_2016 SRR3993042 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 80753778 12113066700 150 150 SRR3993042 Paolo_Manghi 104.54 +SRR3993043 LiuW_2016 SRR3993043 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 55840912 8376136800 150 150 SRR3993043 Paolo_Manghi 86 +SRR3993044 LiuW_2016 SRR3993044 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 78685516 11802827400 150 150 SRR3993044 Paolo_Manghi 81.11 +SRR3993045 LiuW_2016 SRR3993045 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 87820694 13055662644 126 150 SRR3993045 Paolo_Manghi 83.81 +SRR3993046 LiuW_2016 SRR3993046 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 58766464 8814969600 150 150 SRR3993046 Paolo_Manghi 119.86 +SRR3993047 LiuW_2016 SRR3993047 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 50485574 7572836100 150 150 SRR3993047 Paolo_Manghi 112.65 +SRR3993048 LiuW_2016 SRR3993048 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 46672508 6831562872 126 150 SRR3993048 Paolo_Manghi 116.26 +SRR3993049 LiuW_2016 SRR3993049 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 42885312 6432796800 150 150 SRR3993049 Paolo_Manghi 94.63 +SRR3993050 LiuW_2016 SRR3993050 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 39917980 5987697000 150 150 SRR3993050 Paolo_Manghi 84.72 +SRR3993051 LiuW_2016 SRR3993051 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 38697234 5804585100 150 150 SRR3993051 Paolo_Manghi 91.93 +SRR3993052 LiuW_2016 SRR3993052 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 32202896 4749085968 126 150 SRR3993052 Paolo_Manghi 82.01 +SRR3993053 LiuW_2016 SRR3993053 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 29835590 4408673652 126 150 SRR3993053 Paolo_Manghi 73.71 +SRR3993054 LiuW_2016 SRR3993054 stool control healthy adult MNG no IlluminaHiSeq Qiagen 27708392 48978572 7346785800 150 150 SRR3993054 Paolo_Manghi 225.7 +SRR3993055 LiuW_2016 SRR3993055 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 100450542 14612927028 126 150 SRR3993055 Paolo_Manghi 92.94 +SRR3993056 LiuW_2016 SRR3993056 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 54392858 8057958780 126 150 SRR3993056 Paolo_Manghi 76.92 +SRR3993057 LiuW_2016 SRR3993057 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 72633154 10894973100 150 150 SRR3993057 Paolo_Manghi 90.54 +SRR3993058 LiuW_2016 SRR3993058 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 56474380 8471157000 150 150 SRR3993058 Paolo_Manghi 77.72 +SRR3993059 LiuW_2016 SRR3993059 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 78443610 11455645452 126 150 SRR3993059 Paolo_Manghi 95.35 +SRR3993060 LiuW_2016 SRR3993060 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 73467432 10733227584 126 150 SRR3993060 Paolo_Manghi 70.51 +SRR3993061 LiuW_2016 SRR3993061 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 78786790 11474978388 126 150 SRR3993061 Paolo_Manghi 68.91 +SRR3993062 LiuW_2016 SRR3993062 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37437004 5615550600 150 150 SRR3993062 Paolo_Manghi 87.33 +SRR3993063 LiuW_2016 SRR3993063 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 54129152 8025801600 126 150 SRR3993063 Paolo_Manghi 81.73 +SRR3993064 LiuW_2016 SRR3993064 stool control healthy adult MNG yes IlluminaHiSeq Qiagen 27708392 37171850 5575777500 150 150 SRR3993064 Paolo_Manghi 79.32 diff -r 000000000000 -r 76a728a52df6 result_heatmap/out.html --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/result_heatmap/out.html Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,14 @@ + + + +
+
+ + \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 result_heatmap/result_heatmap.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/result_heatmap/result_heatmap.py Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,249 @@ +import pandas as pd #pandas==2.1.4 +import plotly.graph_objects as go #plotly==5.20.0 +import os +import argparse + + +def Analysis(values, thr=0.05): + # print(values) + better = [] + comparable = [] + thr = 0.05 + + last_value = values[4] + + for v in values[0:4]: + # print(v) + better.append(round(last_value -v, 2) > thr) + comparable.append(abs(round(last_value -v, 2)) <= thr) + + if all(better): + return (True, 'better_all' ) + elif True in better: + return (True, 'better_one' ) + elif all( comparable): + return (True, 'Comp_with_all' ) + elif True in comparable: + return (True, 'Comp_with_one' ) + + +color_scale=[ + [0, 'green'], # Value -1 will be red + [0.5, 'red'], # Value 0 will be yellow + [1, 'yellow'] # Value 1 will be blue +] + +# Define the color scale constant +COLOR_SCALE = { + 'Comp_with_all': 'blue', + 'better_all': 'violet', + 'Comp_with_one': 'black', + 'better_one': 'red' +} +def ResultSummary(file, threshold, column_list=None): + print(file) + new_DF = pd.read_csv(file, sep='\t') + new_DF.set_index('name', inplace=True) + + DF = new_DF.T + DF.columns = new_DF.index + DF.index = new_DF.columns + + # If no column_list provided, use all columns + if column_list is None: + df = DF + else: + df = DF.iloc[column_list] + + column_anno_per = {} + comparable = {} + + for n in df.columns.to_list(): + comparable[n] = Analysis(df[n].values, threshold) + return comparable + +def Plot(input_file, width=2460, height=800, color_labels='Greens', font_size=22, tick_font=26, tick_angle=-80, threshold=0.05, column_list=None, outfile='out.html'): + + # Parse column_list if it's a string (from command line) + # Convert from 1-indexed (XML) to 0-indexed (Python) + if isinstance(column_list, str) and column_list: + column_list = [int(i) - 2 for i in column_list.split(',')] + + figure_size = (width, height) + + print(column_list) + + result_1 = ResultSummary(input_file, threshold, column_list) + + true_columns = [] + true_column_comp = [] + + for i, k in enumerate(result_1.keys()): + if result_1[k]: + true_column_comp.append((i, result_1[k], k)) + + plotting_columns = { + 'Comp_with_all': [], + 'better_all': [], + 'Comp_with_one': [], + 'better_one': [], + 'None': [], + } + + colors = COLOR_SCALE + arranged_columns = [] + counter = 0 + + for c in colors.keys(): + for i, a in enumerate(true_column_comp): + if c == a[1][1]: + counter += 1 + plotting_columns[c].append((a[2], counter - 1)) + arranged_columns.append(a[2]) + + # Read and prepare data for plotting - use the same processing as ResultSummary + new_DF = pd.read_csv(input_file, sep='\t') + new_DF.set_index('name', inplace=True) + + # Transpose to get classifiers as rows and metrics as columns + DF = new_DF.T + DF.columns = new_DF.index + DF.index = new_DF.columns + + column_list + + # Apply column_list filter if provided + if column_list is None: + df = DF + else: + df = DF.iloc[column_list] + + print(df) + + # Filter to only keep the arranged_columns (columns that pass the analysis) + if arranged_columns: + df = df[arranged_columns] + + df.index.name = 'name' + + # print(height, width) + + heatmap = go.Heatmap( + z=df.values, + x=df.columns, + zmin=0, + zmax=1, + y=df.index, + # colorbar=dict(title='Value'), + text=df.values, # Display values in each cell + texttemplate="%{text}", # Format for text + colorscale=color_labels, + textfont=dict(size=font_size, color='white') + ) + + shapes = [] + + for i in range(5, len(df), 5): + shapes.append( + go.layout.Shape( + type='line', + x0=-0.5, + x1=len(df.columns) - 0.5, + y0=i - 0.5, + y1=i - 0.5, + line=dict(color='white', width=1), + ) + ) + + ind = 0 + for t in plotting_columns.keys(): + if t != 'None' and len(plotting_columns[t]) > 0: + col_idx = plotting_columns[t][0][1] + row_idx = 4 + shape1 = go.layout.Shape( + type='rect', + x0=col_idx - 0.48, + x1=plotting_columns[t][-1][1] + 0.48, + y0=row_idx - 4.5, + y1=row_idx + 0.5, + line=dict(color=colors[t], width=2.5), # Use color from the color scale constant + fillcolor='rgba(255, 255, 255, 0)', # Transparent fill + ) + shapes.append(shape1) + + fig = go.Figure(data=[heatmap]) + + print(input_file.split('/')[len(input_file.split('/'))-1].split('.')[0]) + + # Create legend annotations for border colors at the top + legend_annotations = [] + legend_labels = { + 'better_all': 'Better than all (≥threshold)', + 'better_one': 'Better than some', + 'Comp_with_all': 'Comparable with all', + 'Comp_with_one': 'Comparable with some' + } + + x_position = 0.0 + for color_key, label_text in legend_labels.items(): + legend_annotations.append( + dict( + x=x_position, + y=1.12, + xref='paper', + yref='paper', + text=f' {label_text}', + showarrow=False, + xanchor='left', + yanchor='bottom', + font=dict(size=11) + ) + ) + x_position += 0.25 + + fig.update_layout( + width=figure_size[0], + height=figure_size[1], + shapes=shapes, + title='', + xaxis=dict(title='Study', tickfont=dict(size=24), tickangle=tick_angle), + yaxis=dict(title='Classifier', tickfont=dict(size=24) ), + yaxis_autorange='reversed', + # colorscale=[[1, 'blue'], [-1, 'red']], + autosize=False, + annotations=legend_annotations, + margin=dict(t=200) # Add top margin for legend + ) + + # Save the figure as HTML + fig.write_html(outfile) + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="Plot heatmap from TSV data with classification results.") + parser.add_argument("--input_file", type=str, default="test_data_age_category.tsv", help="Path to input TSV file (default: test_data_age_category.tsv)") + parser = argparse.ArgumentParser(description="Plot heatmap from TSV data with classification results.") + parser.add_argument("--input_file", type=str, default="test_data_age_category.tsv", help="Path to input TSV file (default: test_data_age_category.tsv)") + parser.add_argument("--column_list", type=str, default=None, help="Comma-separated column indices to plot (default: None - plots all data)") + parser.add_argument("--width", type=int, default=2460, help="Figure width in pixels (default: 2460)") + parser.add_argument("--height", type=int, default=800, help="Figure height in pixels (default: 800)") + parser.add_argument("--color_labels", type=str, default="Greens", help="Color scheme for heatmap (default: Greens)") + parser.add_argument("--font_size", type=int, default=22, help="Font size for cell text (default: 22)") + parser.add_argument("--tick_font", type=int, default=26, help="Font size for tick labels (default: 26)") + parser.add_argument("--tick_angle", type=int, default=-80, help="Angle of x-axis tick labels in degrees (default: -80)") + parser.add_argument("--threshold", type=float, default=0.05, help="Threshold for comparison analysis (default: 0.05)") + parser.add_argument("--output", type=str, default="out.html", help="Output file path (default: out.html)") + + args = parser.parse_args() + + Plot( + input_file=args.input_file, + width=args.width, + height=args.height, + color_labels=args.color_labels, + font_size=int(args.font_size), + tick_font=int(args.tick_font), + tick_angle=int(args.tick_angle), + threshold=float(args.threshold), + column_list=args.column_list, + outfile=args.output + ) \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 result_heatmap/test-data/test.html --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/result_heatmap/test-data/test.html Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,14 @@ + + + +
+
+ + \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 result_heatmap/test-data/test_data.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/result_heatmap/test-data/test_data.tsv Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,10 @@ +name Acc_LRC F1_LRC Prec_LRC Recall_LRC MCC_LRC Acc_DTC F1_DTC Prec_DTC Recall_DTC MCC_DTC Acc_SVC F1_SVC Prec_SVC Recall_SVC MCC_SVC Acc_RFC F1_RFC Prec_RFC Recall_RFC MCC_RFC Acc_HDC F1_HDC Prec_HDC Recall_HDC MCC_HDC +VatanenT_2016 0.8 0.8 0.81 0.8 0.59 0.8 0.8 0.8 0.8 0.57 0.81 0.81 0.81 0.81 0.6 0.85 0.85 0.85 0.85 0.68 0.85 0.85 0.85 0.85 0.69 +FerrettiP_2018 0.88 0.88 0.88 0.88 0.75 0.77 0.77 0.77 0.77 0.51 0.82 0.82 0.84 0.82 0.64 0.84 0.83 0.86 0.84 0.67 0.91 0.91 0.92 0.91 0.82 +YuJ_2015 0.49 0.47 0.47 0.49 -0.13 0.63 0.49 0.4 0.63 0 0.66 0.63 0.69 0.66 0.27 0.63 0.49 0.4 0.63 0 0.67 0.67 0.67 0.67 0.3 +ZellerG_2014 0.63 0.62 0.64 0.63 0.25 0.59 0.43 0.34 0.59 0 0.63 0.62 0.63 0.63 0.22 0.59 0.43 0.34 0.59 0 0.66 0.65 0.66 0.66 0.3 +VogtmannE_2016 0.78 0.77 0.8 0.78 0.55 0.62 0.48 0.39 0.62 0 0.7 0.69 0.74 0.7 0.39 0.66 0.63 0.68 0.66 0.25 0.8 0.8 0.8 0.8 0.57 +LeeKA_2022 0.65 0.64 0.66 0.65 0.3 0.62 0.61 0.63 0.62 0.24 0.61 0.59 0.66 0.61 0.26 0.61 0.6 0.62 0.61 0.23 0.64 0.64 0.65 0.64 0.28 +FengQ_2015 0.64 0.63 0.65 0.64 0.25 0.69 0.65 0.74 0.69 0.35 0.54 0.54 0.57 0.54 0.09 0.69 0.67 0.7 0.69 0.34 0.64 0.63 0.64 0.64 0.24 +YassourM_2018 0.97 0.97 0.98 0.97 0.95 0.97 0.97 0.97 0.97 0.95 0.95 0.95 0.95 0.95 0.9 0.97 0.97 0.98 0.97 0.95 0.98 0.98 0.98 0.98 0.96 +YachidaS_2019 0.6 0.59 0.59 0.6 0.17 0.68 0.67 0.68 0.68 0.34 0.65 0.64 0.65 0.65 0.27 0.68 0.68 0.68 0.68 0.35 0.68 0.68 0.69 0.68 0.36 \ No newline at end of file diff -r 000000000000 -r 76a728a52df6 result_heatmap/test.html --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/result_heatmap/test.html Tue Feb 17 10:52:45 2026 +0000 @@ -0,0 +1,14 @@ + + + +
+
+ + \ No newline at end of file