Paket: librdkit1 (201212-1) [debports]
librdkit1 için bağlantılar
Debian Kaynakları:
Kaynak Paketini İndir:
BulunamadıGeliştiriciler:
Dış Kaynaklar:
- Ana Sayfa [www.rdkit.org]
Benzer paketler:
Collection of cheminformatics and machine-learning software (shared libraries)
RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include:
* Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of descriptors * Fragmentation using RECAP rules * 2D coordinate generation and depiction * 3D coordinate generation using geometry embedding * UFF forcefield * Calculation of (R/S) stereochemistry codes * Pharmacophore searching * Calculation of shape similarity * Atom pairs and topological torsions fingerprints * Feature maps and feature-maps vectors * Machine-learning algorithms * Gasteiger-Marsili partial charge calculation
File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary format.
This package contains the shared libraries.
librdkit1 ile İlgili Diğer Paketler
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- dep: libboost-python1.49.0 (>= 1.49.0-1)
- Paket mevcut değil
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- dep: libboost-regex1.49.0 (>= 1.49.0-1)
- Paket mevcut değil
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- dep: libc6 (>= 2.16)
- GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
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- dep: libgcc1
- Paket mevcut değil
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- dep: libpython2.7 (>= 2.7)
- Paket mevcut değil
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- dep: libstdc++6
- GNU Standard C++ Library v3
librdkit1 indir
Mimari | Paket Boyutu | Kurulu Boyut | Dosyalar |
---|---|---|---|
x32 (resmi olmayan port) | 1.968,8 kB | 4.728,0 kB | [dosya listesi] |