软件包：postgresql-13-rdkit（202009.4-1）

postgresql-13-rdkit 的相关链接

Debian 的资源：

下载源码包 rdkit：

维护小组：

Debichem Team (QA 页面, 邮件存档)
Michael Banck (QA 页面)

外部的资源：

主页 [www.rdkit.org]

相似软件包：

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.

其他与 postgresql-13-rdkit 有关的软件包

依赖

推荐

建议

增强

dep: libc6 (>= 2.14) [amd64]

GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb

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

dep: libc6 (>= 2.4) [除 amd64, arm64, ppc64el]
dep: libgcc-s1 (>= 3.0) [除 armel, armhf]

GCC 支持库

dep: libgcc-s1 (>= 3.5) [armel, armhf]
dep: librdkit1

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

GNU 标准 C++ 库，第3版
dep: postgresql-13

The World's Most Advanced Open Source Relational Database

下载 postgresql-13-rdkit

下载可用于所有硬件架构的
硬件架构	软件包大小	安装后大小	文件
amd64	341.9 kB	823.0 kB	[文件列表]
arm64	333.3 kB	809.0 kB	[文件列表]
armel	328.3 kB	801.0 kB	[文件列表]
armhf	329.5 kB	743.0 kB	[文件列表]
i386	348.7 kB	833.0 kB	[文件列表]
mips64el	331.8 kB	838.0 kB	[文件列表]
mipsel	333.3 kB	834.0 kB	[文件列表]
ppc64el	345.4 kB	932.0 kB	[文件列表]
s390x	354.4 kB	861.0 kB	[文件列表]