Paket: postgresql-16-rdkit (202309.3-4 ve diğerleri)

postgresql-16-rdkit için bağlantılar

Debian Kaynakları:

rdkit Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [www.rdkit.org]

Benzer paketler:

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-16-rdkit ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libc6 (>= 2.38) [alpha, ppc64 değil]

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

dep: libc6 (>= 2.4) [ppc64]
dep: libc6.1 (>= 2.1.3) [alpha]

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6.1-udeb
dep: libgcc-s1 (>= 3.0) [alpha, armel, armhf, m68k, riscv64, sparc64 değil]

GCC support library

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

dep: libgcc-s1 (>= 3.5) [armel, armhf]
dep: libgcc-s2 (>= 4.2.1) [m68k]

GCC support library
dep: librdkit1 (>= 202309.3) [alpha, ppc64]

Collection of cheminformatics and machine-learning software (shared libraries)
dep: librdkit1t64 (>= 202309.3) [alpha, ppc64 değil]

Collection of cheminformatics and machine-learning software (shared libraries)
dep: libstdc++6 (>= 13.1)

GNU Standard C++ Library v3
dep: postgresql-16

The World's Most Advanced Open Source Relational Database

postgresql-16-rdkit indir

Tüm mevcut mimariler için indir
Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
alpha (resmi olmayan port)	202309.3-2	206,8 kB	576,0 kB	[dosya listesi]
amd64	202309.3-4	480,0 kB	1.126,0 kB	[dosya listesi]
arm64	202309.3-4	469,9 kB	1.135,0 kB	[dosya listesi]
armel	202309.3-4	459,8 kB	1.103,0 kB	[dosya listesi]
armhf	202309.3-4	460,1 kB	1.032,0 kB	[dosya listesi]
i386	202309.3-4	493,2 kB	1.159,0 kB	[dosya listesi]
m68k (resmi olmayan port)	202309.3-4	206,1 kB	474,0 kB	[dosya listesi]
mips64el	202309.3-4	468,8 kB	1.159,0 kB	[dosya listesi]
ppc64 (resmi olmayan port)	202309.3-2	491,3 kB	1.310,0 kB	[dosya listesi]
ppc64el	202309.3-4	484,2 kB	1.218,0 kB	[dosya listesi]
riscv64	202309.3-4	208,4 kB	451,0 kB	[dosya listesi]
s390x	202309.3-4	518,7 kB	1.213,0 kB	[dosya listesi]
sparc64 (resmi olmayan port)	202309.3-4	195,3 kB	1.224,0 kB	[dosya listesi]