Help for the command-line tools

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: