[ bullseye ]
[ sid ]
[ Source: rdkit ]
Paketti: postgresql-13-rdkit (202009.4-1)
Links for postgresql-13-rdkit
Debian-palvelut:
Imuroi lähdekoodipaketti rdkit:
Ylläpitäjät:
External Resources:
- Kotisivu [www.rdkit.org]
Samankaltaisia paketteja:
Cheminformatics and machine-learning software (PostgreSQL Cartridge)
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 molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation
File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format.
This package contains the PostgreSQL extension.
Muut pakettiin postgresql-13-rdkit liittyvät paketit
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- dep: libc6 (>= 2.14) [amd64]
- GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
- dep: libc6 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.4) [ei amd64, arm64, ppc64el]
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- dep: libgcc-s1 (>= 3.0) [ei armel, armhf]
- GCC:n apukirjasto
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: librdkit1
- Collection of cheminformatics and machine-learning software (shared libraries)
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- dep: libstdc++6 (>= 5.2)
- GNU standardi C++ -kirjasto, versio 3
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- dep: postgresql-13
- The World's Most Advanced Open Source Relational Database
Imuroi postgresql-13-rdkit
Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
---|---|---|---|
amd64 | 341.9 kt | 823.0 kt | [tiedostoluettelo] |
arm64 | 333.3 kt | 809.0 kt | [tiedostoluettelo] |
armel | 328.3 kt | 801.0 kt | [tiedostoluettelo] |
armhf | 329.5 kt | 743.0 kt | [tiedostoluettelo] |
i386 | 348.7 kt | 833.0 kt | [tiedostoluettelo] |
mips64el | 331.8 kt | 838.0 kt | [tiedostoluettelo] |
mipsel | 333.3 kt | 834.0 kt | [tiedostoluettelo] |
ppc64el | 345.4 kt | 932.0 kt | [tiedostoluettelo] |
s390x | 354.4 kt | 861.0 kt | [tiedostoluettelo] |