Paket: postgresql-17-rdkit (202409.4-1 ve diğerleri)

[ Kaynak: 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.

postgresql-17-rdkit ile İlgili Diğer Paketler

• dep: libc6 (>= 2.14) [amd64]

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

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

  dep: libc6 (>= 2.27) [riscv64]

  dep: libc6 (>= 2.38) [sparc64]

  dep: libc6 (>= 2.4) [m68k, mips64el, ppc64, s390x]

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

  GCC support library

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

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC support library

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

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

  dep: librdkit1t64 (>= 202409.2) [m68k, ppc64, s390x]

  dep: librdkit1t64 (>= 202409.4) [m68k, ppc64, s390x, sparc64 değil]

• dep: libstdc++6 (>= 13.1)

  GNU Standard C++ Library v3

• dep: postgresql-17

  The World's Most Advanced Open Source Relational Database

postgresql-17-rdkit indir

Tüm mevcut mimariler için indir

Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	202409.4-1	241,1 kB	590,0 kB	[dosya listesi]
arm64	202409.4-1	233,4 kB	658,0 kB	[dosya listesi]
m68k (resmi olmayan port)	202409.2-2	231,7 kB	548,0 kB	[dosya listesi]
mips64el	202409.4-1	234,4 kB	623,0 kB	[dosya listesi]
ppc64 (resmi olmayan port)	202409.2-2	244,4 kB	717,0 kB	[dosya listesi]
ppc64el	202409.4-1	244,9 kB	658,0 kB	[dosya listesi]
riscv64	202409.4-1	239,7 kB	542,0 kB	[dosya listesi]
s390x	202409.2-2	237,4 kB	605,0 kB	[dosya listesi]
sparc64 (resmi olmayan port)	202309.3-6	193,4 kB	1.224,0 kB	[dosya listesi]