[chemfp] chemfp_converters (fingerprint file format converters)

Andrew Dalke dalke at dalkescientific.com
Fri Feb 9 19:37:35 EST 2018


Hi all,

I've released a package to convert between the chemfp formats and other fingerprint file formats.

The code is at http://dalkescientific.com/releases/chemfp_converters-0.9.tar.gz . The project page is at https://bitbucket.org/dalke/chemfp_converters .

The currently supported formats are:
  - Open Babel FastSearch
  - Dave Cosgrove's Flush file format
  - OpenEye's OEFastFingerPrint database format

It supports Python 2.7/chemfp-1.3, Python 2.7/chemfp-3.1, and Python 3.5+/chemfp-3.1.

I don't think there are many people who need this functionality, but if you are one, let me know of any feedback.

Are there other formats I should support?

Cheers,


				Andrew
				dalke at dalkescientific.com



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