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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
Content homepage: https://chemfp.readthedocs.io/en/chemfp-1.5/
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp
Link to this repository: https://toolshed.g2.bx.psu.edu/view/bgruening/chemfp/3b14765c22ee
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/chemfp
Type: unrestricted
Revision: 12:3b14765c22ee
This revision can be installed: True
Times cloned / installed: 965

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
conversion to several different fingerprint formats 1.6.1+galaxy0 16.01
of molecular fingerprints 1.6.1+0 16.01
of molecular fingerprints 1.6.1+0 16.01
- extract fingerprints from sdf file metadata 1.6.1+0 16.01

Categories
Computational chemistry - Tools for use in computational chemistry