Paket: postgresql-14-rdkit (202109.2-1build1)

Länkar för postgresql-14-rdkit

Trisquelresurser:

Hämta källkodspaketet rdkit:

Ansvarig:

Debichem Team (E-postarkiv)

Original Maintainers:

Debichem Team (E-postarkiv)
Michael Banck

Externa resurser:

Hemsida [www.rdkit.org]

Liknande paket:

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.

Andra paket besläktade med postgresql-14-rdkit

beror

rekommenderar

föreslår

dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av libc6-udeb

dep: libc6 (>= 2.17) [arm64, ppc64el]

dep: libc6 (>= 2.4) [armhf]
dep: libgcc-s1 (>= 3.0) [ej armhf]

GCC support library

dep: libgcc-s1 (>= 3.5) [armhf]
dep: librdkit1

Collection of cheminformatics and machine-learning software (shared libraries)
dep: libstdc++6 (>= 5.2)

GNU Standard C++ Library v3
dep: postgresql-14

The World's Most Advanced Open Source Relational Database

Hämta postgresql-14-rdkit

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	286,6 kbyte	836 kbyte	[filförteckning]
arm64	278,6 kbyte	820 kbyte	[filförteckning]
armhf	274,5 kbyte	775 kbyte	[filförteckning]
ppc64el	294,5 kbyte	952 kbyte	[filförteckning]

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