软件包：librdkit1t64（202309.3-5）

librdkit1t64 的相关链接

Debian 的资源：

下载源码包 rdkit：

维护小组：

外部的资源：

主页 [www.rdkit.org]

相似软件包：

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

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 shared libraries.

其他与 librdkit1t64 有关的软件包

依赖

推荐

建议

增强

dep: libboost-iostreams1.83.0 (>= 1.83.0)

Boost.Iostreams Library
dep: libboost-python1.83.0 (>= 1.83.0)

Boost.Python Library
dep: libboost-python1.83.0-py312

本虚包由这些包填实： libboost-python1.83.0
dep: libboost-serialization1.83.0 (>= 1.83.0)

serialization library for C++
dep: libc6 (>= 2.38)

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: libcairo2 (>= 1.4.10)

Cairo 2D vector graphics library
dep: libcoordgen3 (>= 3.0.2)

2D coordinate generation for chemical compounds
dep: libfreetype6 (>= 2.2.1)

FreeType 2 font engine, shared library files
dep: libgcc-s1 (>= 3.0) [arm64, s390x]

GCC 支持库

dep: libgcc-s1 (>= 3.4) [amd64, mips64el, riscv64]

dep: libgcc-s1 (>= 3.4.4) [ppc64el]

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

dep: libgcc-s1 (>= 4.2) [i386]
dep: libinchi1.07 (>= 1.07.1+dfsg)

International Chemical Identifier (InChI) algorithm (library)
dep: libmaeparser1 (>= 1.3.1)

parser for Schrödinger Maestro files
dep: libpython3.12t64 (>= 3.12.1)

Shared Python runtime library (version 3.12)
dep: libstdc++6 (>= 14)

GNU 标准 C++ 库，第3版

下载 librdkit1t64

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	4,920.6 kB	21,577.0 kB	[文件列表]
arm64	4,295.5 kB	22,078.0 kB	[文件列表]
armel	4,142.7 kB	18,856.0 kB	[文件列表]
armhf	4,160.5 kB	14,628.0 kB	[文件列表]
i386	5,084.0 kB	21,288.0 kB	[文件列表]
mips64el	4,012.3 kB	24,821.0 kB	[文件列表]
ppc64el	4,826.5 kB	26,237.0 kB	[文件列表]
riscv64	4,653.4 kB	17,357.0 kB	[文件列表]
s390x	4,764.8 kB	21,674.0 kB	[文件列表]