Paket: python-chemfp (1.1p1-2.1)

Länkar för python-chemfp

Trisquelresurser:

Hämta källkodspaketet chemfp:

Ansvarig:

Debichem Team (E-postarkiv)

Original Maintainers:

Debichem Team (E-postarkiv)
Michael Banck

Externa resurser:

Hemsida [code.google.com]

Liknande paket:

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

Andra paket besläktade med python-chemfp

beror

rekommenderar

föreslår

dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av 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 (default version)

dep: python (>= 2.7)

rec: python-openbabel

Chemical toolbox library (python bindings)
rec: python-rdkit

Collection of cheminformatics and machine-learning software

Hämta python-chemfp

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	155,7 kbyte	793 kbyte	[filförteckning]
i386	157,8 kbyte	803 kbyte	[filförteckning]

Sections