[ buster ]
[ Bron: chemfp ]
Pakket: python-chemfp (1.1p1-2.1)
Verwijzigingen voor python-chemfp
Debian bronnen:
Het bronpakket chemfp downloaden:
Beheerders:
Externe bronnen:
- Homepage [code.google.com]
Vergelijkbare pakketten:
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
Andere aan python-chemfp gerelateerde pakketten
|
|
|
|
-
- dep: libc6 (>= 2.14) [amd64]
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
- dep: libc6 (>= 2.4) [i386]
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: python (<< 2.8)
- interactive high-level object-oriented language (Python2 version)
- dep: python (>= 2.7)
-
- rec: python-openbabel
- Chemical toolbox library (python bindings)
-
- rec: python-rdkit
- Collection of cheminformatics and machine-learning software