Paket: postgresql-17-rdkit (202409.2-2 och andra)

[ Källkod: 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.

Andra paket besläktade med postgresql-17-rdkit

• dep: libc6 (>= 2.14) [amd64]

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

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

  dep: libc6 (>= 2.27) [riscv64]

  dep: libc6 (>= 2.38) [sparc64]

  dep: libc6 (>= 2.4) [ej amd64, arm64, ppc64el, riscv64, sparc64]

• dep: libgcc-s1 (>= 3.0) [ej armel, armhf, m68k, riscv64, sparc64]

  GCC stödbibliotek

  dep: libgcc-s1 (>= 3.4) [riscv64, sparc64]

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

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC stödbibliotek

• dep: librdkit1t64 (>= 202309.3) [sparc64]

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

  dep: librdkit1t64 (>= 202409.2) [ej sparc64]

• dep: libstdc++6 (>= 13.1)

  GNU standardbibliotek v3 för C++

• dep: postgresql-17

  The World's Most Advanced Open Source Relational Database

Hämta postgresql-17-rdkit

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
amd64	202409.2-2	238,6 kbyte	585,0 kbyte	[filförteckning]
arm64	202409.2-2	231,2 kbyte	653,0 kbyte	[filförteckning]
armel	202409.2-2	225,1 kbyte	540,0 kbyte	[filförteckning]
armhf	202409.2-2	225,9 kbyte	480,0 kbyte	[filförteckning]
i386	202409.2-2	246,3 kbyte	592,0 kbyte	[filförteckning]
m68k (inofficiell anpassning)	202409.2-2	231,7 kbyte	548,0 kbyte	[filförteckning]
mips64el	202409.2-2	231,9 kbyte	618,0 kbyte	[filförteckning]
ppc64 (inofficiell anpassning)	202409.2-2	244,4 kbyte	717,0 kbyte	[filförteckning]
ppc64el	202409.2-2	242,1 kbyte	653,0 kbyte	[filförteckning]
riscv64	202409.2-2	237,3 kbyte	537,0 kbyte	[filförteckning]
s390x	202409.2-2	237,4 kbyte	605,0 kbyte	[filförteckning]
sparc64 (inofficiell anpassning)	202309.3-6	193,4 kbyte	1.224,0 kbyte	[filförteckning]