python-chemfp 1.1p1-2.1 (ppc64el binary) in ubuntu bionic

 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:
 .
  * 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

Details

Package version:
1.1p1-2.1
Source:
chemfp 1.1p1-2.1 source package in Ubuntu
Status:
Published
Component:
universe
Priority:
Optional

Package relationships

Provides:
  • python2.7-chemfp