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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.

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