软件包: python-chemfp (1.1p1-2.1)

python-chemfp 的相关链接

Trisquel 的资源:

下载源码包 chemfp:

维护者:

Debichem Team (Mail Archive)

Original Maintainers:

Debichem Team (Mail Archive)
Michael Banck

外部的资源:

主页 [code.google.com]

相似软件包:

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

其他与 python-chemfp 有关的软件包

依赖

推荐

建议

dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
同时作为一个虚包由这些包填实: 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

下载 python-chemfp

下载可用于所有硬件架构的
硬件架构	软件包大小	安装后大小	文件
amd64	155.7 kB	793 kB	[文件列表]
i386	157.8 kB	803 kB	[文件列表]

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