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[ Source: chemfp ]
Package: python-chemfp (1.1p1-2.1)
Links for python-chemfp
Trisquel Resources:
Download Source Package chemfp:
Maintainer:
Original Maintainers:
- Debichem Team (Mail Archive)
- Michael Banck
External Resources:
- Homepage [code.google.com]
Similar packages:
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
Other Packages Related to python-chemfp
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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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
Download python-chemfp
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 155.7 kB | 793 kB | [list of files] |
| i386 | 157.8 kB | 803 kB | [list of files] |