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Repository chemfp
Name: chemfp
Owner: bgruening
Synopsis: Chemfp tools for working with cheminformatics fingerprints in the FPS format
Chemfp is a set of command-line tools and a Python library for fingerprint generation
and high-performance similarity search. Chemfp supports the FPS exchange format for fingerprint data,
so if want something beyond the OpenEye, Open Babel and RDKit fingerprints that chemfp
supports then you can write your own FPS files and still use the fast Tanimoto search tool.
It also supports the FPB binary format for fast loading, which is handy fast web server reloads and subsecond command-line searches.

http://chemfp.com
Type: unrestricted
Revision: 6:e3a7d6cc87af
This revision can be installed: True
Times cloned / installed: 1025

Contents of this repository

Name Description Version Minimum Galaxy Version
of molecular fingerprints 0.2 16.01
of molecular fingerprints 0.4 16.01
with different fingerprint types 0.3.0 16.01
extract fingerprints from sdf files metadata 0.2 16.01

Categories
Computational chemistry - Tools for use in computational chemistry