Pakket: postgresql-18-rdkit (202503.6-2)

[ Bron: rdkit  ]

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.

Andere aan postgresql-18-rdkit gerelateerde pakketten

• dep: libc6 (>= 2.14) [amd64]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

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

  dep: libc6 (>= 2.4) [mips64el]

  dep: libc6 (>= 2.41) [loong64]

• dep: libgcc-s1 (>= 3.0)

  GCC support bibliotheek

• dep: librdkit1t64 (>= 202503.6)

  Collection of cheminformatics and machine-learning software (shared libraries)

• dep: libstdc++6 (>= 13.1)

  GNU Standard C++ Library v3

• dep: postgresql-18

  The World's Most Advanced Open Source Relational Database

postgresql-18-rdkit downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
amd64	256,4 kB	621,0 kB	[overzicht]
arm64	243,6 kB	669,0 kB	[overzicht]
loong64 (unofficial port)	249,5 kB	669,0 kB	[overzicht]
mips64el	245,6 kB	699,0 kB	[overzicht]
ppc64el	256,3 kB	733,0 kB	[overzicht]