The chemfp command-line tools

See Working with the chemfp command-line tools for examples of how to use these commands.

The chemfp command-line tools are:

  • fpcat - merge multiple fingerprint files into one

  • cdk2fps - use CDK to generate fingerprints

  • ob2fps - use Open Babel to generate fingerprints

  • oe2fps - use OEChem/OEGraphSim to generate fingerprints

  • rdkit2fps - use RDKit to generate fingerprints

  • sdf2fps - extract fingerprints from an SD file

  • simsearch - search a fingerprint file for similar fingerprints

  • chemfp - top-level command for additional chemfp commands

The chemfp command implements many subcommands: