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[ Quellcode: chemfp ]
Paket: python-chemfp (1.1p1-2.1)
Links für python-chemfp
Trisquel-Ressourcen:
Quellcode-Paket chemfp herunterladen:
Betreuer:
Original Maintainers:
- Debichem Team (E-Mail-Archiv)
- Michael Banck
Externe Ressourcen:
- Homepage [code.google.com]
Ähnliche Pakete:
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
Andere Pakete mit Bezug zu python-chemfp
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- dep: libc6 (>= 2.4)
- GNU C Library: Shared libraries
auch ein virtuelles Paket, bereitgestellt durch 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
python-chemfp herunterladen
| Architektur | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|
| i386 | 157,8 kB | 803 kB | [Liste der Dateien] |