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[ 原始碼： chemfp ]
套件： python-chemfp (1.1p1-2.1)
python-chemfp 的相關超連結
Trisquel 的資源：
下載原始碼套件 chemfp：
維護者：
Original Maintainers:
- Debichem Team (郵件存檔)
- Michael Banck
外部的資源：
- 主頁 [code.google.com]
相似套件：
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
其他與 python-chemfp 有關的套件
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- dep: libc6 (>= 2.4)
- GNU C Library: Shared libraries
同時作為一個虛擬套件由這些套件提供： libc6-udeb
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- 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