cheminformatics fingerprints file formats and tools

 Chem-fingerprints is a set of formats and related tools for the storage,
 exchange, and search of cheminformatics fingerprint data sets.
 .
 It translates fingerprints from the OpenBabel and RDKIT and
 cheminformatics packages (as well as the proprietary OEChem package)
 into the binary FPS format.
 .
 Besides Python modules, it provides the following tools:
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  * sdf2fps - Extract fingerprint data from SD tags
  * ob2fps - Use OpenBabel to generate fingerprints from structures
  * rdkit2fps - Use RDKit to generate fingerprints from structures
  * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures
  * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches
    between two FPS files