Paket: python-chemfp (1.1p1-2.1)

python-chemfp için bağlantılar

Debian Kaynakları:

chemfp Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [code.google.com]

Benzer paketler:

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

python-chemfp ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libc6 (>= 2.14)

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
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

python-chemfp indir

Tüm mevcut mimariler için indir
Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	159,4 kB	797,0 kB	[dosya listesi]