Пакет: python-chemfp (1.1p1-2.1)
Връзки за python-chemfp
Ресурси за Trisquel:
Изтегляне на пакет-източник chemfp.
Отговорник:
Original Maintainers:
- Debichem Team (Пощенски архив)
- Michael Banck
Външни препратки:
- Начална страница [code.google.com]
Подобни пакети:
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
Други пакети, свързани с python-chemfp
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb
- dep: libc6 (>= 2.4) [i386]
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: python (<< 2.8)
- interactive high-level object-oriented language (default version)
- dep: python (>= 2.7)
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- rec: python-openbabel
- Chemical toolbox library (python bindings)
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- rec: python-rdkit
- Collection of cheminformatics and machine-learning software
Изтегляне на python-chemfp
Архитектура | Големина на пакета | Големина след инсталиране | Файлове |
---|---|---|---|
amd64 | 155,7 кБ | 793 кБ | [списък на файловете] |
i386 | 157,8 кБ | 803 кБ | [списък на файловете] |