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[ Quellcode: chemfp ]
Paket: python-chemfp (1.1p1-2.1)
Links für python-chemfp
Debian-Ressourcen:
Quellcode-Paket chemfp herunterladen:
Betreuer:
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 (>= 2.14) [amd64]
- GNU-C-Bibliothek: Laufzeitbibliotheken
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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- dep: libgomp1 (>= 4.9)
- Unterstützungsbibliothek für GCC OpenMP (GOMP)
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- dep: python (<< 2.8)
- Interaktive objektorientierte Hochsprache (Python2-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 |
|---|---|---|---|
| amd64 | 159,4 kB | 797,0 kB | [Liste der Dateien] |
| i386 | 161,5 kB | 745,0 kB | [Liste der Dateien] |