Paket: postgresql-11-rdkit (201809.1+dfsg-6)

postgresql-11-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-11-rdkit ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libc6 (>= 2.14) [amd64]

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

dep: libc6 (>= 2.17) [arm64]

dep: libc6 (>= 2.4) [armhf, i386]
dep: libgcc1 (>= 1:3.0) [armhf değil]

GCC support library

dep: libgcc1 (>= 1:3.5) [armhf]
dep: librdkit1

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

GNU Standard C++ Library v3
dep: postgresql-11

object-relational SQL database, version 11 server

postgresql-11-rdkit indir

Tüm mevcut mimariler için indir
Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	392,7 kB	951,0 kB	[dosya listesi]
arm64	383,6 kB	940,0 kB	[dosya listesi]
armhf	377,7 kB	861,0 kB	[dosya listesi]
i386	406,8 kB	982,0 kB	[dosya listesi]