Package: python-chemfp (1.1p1-2.1)
Links for python-chemfp
Debian Resources:
Download Source Package chemfp:
Maintainers:
External Resources:
- Homepage [code.google.com]
Similar packages:
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:
* 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
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Download python-chemfp
Architecture | Package Size | Installed Size | Files |
---|---|---|---|
amd64 | 159.4 kB | 797.0 kB | [list of files] |
i386 | 161.5 kB | 745.0 kB | [list of files] |