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Convert cheminformatics fingerprint files to/from the chemfp formats

Project Description

chemfp_converters 0.9.1

A Python library and set of command-line tools to convert cheminformatics fingerprint files from/to the chemfp FPS format.

The supported formats are:

fs2fps, fps2fs – Open Babel’s “FastSearch” format
http://openbabel.org/wiki/FastSearch
flush2fps, fps2flush – Dave Cosgrove’s “flush” format
https://github.com/OpenEye-Contrib/Flush
fpbin2fps, fps2fpbin – OpenEye’s OEFastFPDatabase “fpbin” format
https://docs.eyesopen.com/toolkits/cpp/graphsimtk/OEGraphSimClasses/OEFastFPDatabase.html

These converters have many features though they are of are beta quality. They have only been lightly tested and there is still some code cleanup to do.

Release history Release notifications

This version
History Node

0.9.1

History Node

0.9

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chemfp_converters-0.9.1.tar.gz (47.0 kB) Copy SHA256 hash SHA256 Source None Mar 7, 2018

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