套件：librdkit1（202309.3-3 以及其他的）

librdkit1 的相關連結

Debian 的資源：

下載原始碼套件 rdkit：

維護小組：

Debichem Team (QA 頁面, 郵件存檔)
Michael Banck (QA 頁面)

外部的資源：

主頁 [www.rdkit.org]

相似套件：

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.

標籤: 角色: 共用函式庫

其他與 librdkit1 有關的套件

依賴

推薦

建議

增強

dep: libboost-iostreams1.74.0 (>= 1.74.0) [hppa]

Boost.Iostreams Library
dep: libboost-iostreams1.83.0 (>= 1.83.0) [除 hppa, sh4, x32]

Boost.Iostreams Library
dep: libboost-python1.49.0 (>= 1.49.0-1) [sh4, x32]

套件暫時不可用
dep: libboost-python1.74.0 (>= 1.74.0) [hppa]

Boost.Python Library
dep: libboost-python1.74.0-py39 [hppa]

套件暫時不可用
dep: libboost-python1.83.0 (>= 1.83.0) [除 hppa, sh4, x32]

Boost.Python Library
dep: libboost-python1.83.0-py311 [除 hppa, sh4, x32]

本虛擬套件由這些套件填實： libboost-python1.83.0
dep: libboost-regex1.49.0 (>= 1.49.0-1) [sh4, x32]

套件暫時不可用
dep: libboost-serialization1.74.0 (>= 1.74.0) [hppa]

serialization library for C++
dep: libboost-serialization1.83.0 (>= 1.83.0) [除 hppa, sh4, x32]

serialization library for C++
dep: libc6 (>= 2.13) [sh4]

GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb

dep: libc6 (>= 2.16) [x32]

dep: libc6 (>= 2.29) [hppa]

dep: libc6 (>= 2.34) [除 alpha, hppa, sh4, x32]
dep: libc6.1 (>= 2.34) [alpha]

GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6.1-udeb
dep: libcairo2 (>= 1.4.10) [除 hppa, sh4, x32]

Cairo 2D vector graphics library
dep: libcoordgen3 (>= 3.0.0) [hppa]

2D coordinate generation for chemical compounds

dep: libcoordgen3 (>= 3.0.2) [除 hppa, sh4, x32]
dep: libfreetype6 (>= 2.2.1) [除 sh4, x32]

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

GCC 支援函式庫

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

dep: libgcc-s1 (>= 3.4.4) [ppc64, ppc64el]

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

dep: libgcc-s1 (>= 4.2) [i386]
dep: libgcc-s4 (>= 4.1.1) [hppa]

GCC 支援函式庫
dep: libgcc1 [x32]

套件暫時不可用

dep: libgcc1 (>= 1:4.2.1) [sh4]
dep: libmaeparser1 (>= 1.2.4) [hppa]

parser for Schrödinger Maestro files

dep: libmaeparser1 (>= 1.3.1) [除 hppa, sh4, x32]
dep: libpython2.7 (>= 2.7) [sh4, x32]

套件暫時不可用
dep: libpython3.11 (>= 3.11.5) [alpha, ppc64]

Shared Python runtime library (version 3.11)
dep: libpython3.11t64 (>= 3.11.5) [除 alpha, hppa, ppc64, sh4, x32]

Shared Python runtime library (version 3.11)
dep: libpython3.9 (>= 3.9.1) [hppa]

套件暫時不可用
dep: libstdc++6 [x32]

GNU Standard C++ Library v3

dep: libstdc++6 (>= 13.1) [除 hppa, sh4, x32]

dep: libstdc++6 (>= 4.6) [sh4]

dep: libstdc++6 (>= 9) [hppa]

下載 librdkit1

下載可用於所有硬體架構的
硬體架構	版本	套件大小	安裝後大小	檔案
alpha （非官方移植版）	202309.3-2	4，415。1 kB	24，419。0 kB	[檔案列表]
amd64	202309.3-3+b1	4，796。5 kB	21，400。0 kB	[檔案列表]
arm64	202309.3-3+b1	4，224。8 kB	22，013。0 kB	[檔案列表]
armel	202309.3-3+b1	4，097。9 kB	18，916。0 kB	[檔案列表]
armhf	202309.3-3+b1	4，130。0 kB	14，720。0 kB	[檔案列表]
hppa （非官方移植版）	202009.5-2	3，512。0 kB	17，194。0 kB	[檔案列表]
i386	202309.3-3+b1	4，985。3 kB	21，123。0 kB	[檔案列表]
mips64el	202309.3-3+b1	3，992。0 kB	25，370。0 kB	[檔案列表]
ppc64 （非官方移植版）	202309.3-2	4，726。2 kB	27，638。0 kB	[檔案列表]
ppc64el	202309.3-3+b1	4，761。6 kB	26，238。0 kB	[檔案列表]
riscv64	202309.3-3+b1	4，604。4 kB	17，553。0 kB	[檔案列表]
s390x	202309.3-3+b1	4，685。1 kB	21，705。0 kB	[檔案列表]
sh4 （非官方移植版）	201212-1	2，234。2 kB	5，264。0 kB	[檔案列表]
x32 （非官方移植版）	201212-1	1，968。8 kB	4，728。0 kB	[檔案列表]