套件：postgresql-17-rdkit（202409.2-2 以及其他的）

[ 原始碼： rdkit  ]

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.

其他與 postgresql-17-rdkit 有關的套件

• dep: libc6 (>= 2.14) [amd64]

  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 (>= 2.17) [arm64, ppc64el]

  dep: libc6 (>= 2.27) [riscv64]

  dep: libc6 (>= 2.38) [sparc64]

  dep: libc6 (>= 2.4) [除 amd64, arm64, ppc64el, riscv64, sparc64]

• dep: libgcc-s1 (>= 3.0) [除 armel, armhf, m68k, riscv64, sparc64]

  GCC 支援函式庫

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

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

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC 支援函式庫

• dep: librdkit1t64 (>= 202309.3) [sparc64]

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

  dep: librdkit1t64 (>= 202409.2) [除 sparc64]

• dep: libstdc++6 (>= 13.1)

  GNU Standard C++ Library v3

• dep: postgresql-17

  The World's Most Advanced Open Source Relational Database

下載 postgresql-17-rdkit

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
amd64	202409.2-2	238。6 kB	585。0 kB	[檔案列表]
arm64	202409.2-2	231。2 kB	653。0 kB	[檔案列表]
armel	202409.2-2	225。1 kB	540。0 kB	[檔案列表]
armhf	202409.2-2	225。9 kB	480。0 kB	[檔案列表]
i386	202409.2-2	246。3 kB	592。0 kB	[檔案列表]
m68k （非官方移植版）	202409.2-2	231。7 kB	548。0 kB	[檔案列表]
mips64el	202409.2-2	231。9 kB	618。0 kB	[檔案列表]
ppc64 （非官方移植版）	202409.2-2	244。4 kB	717。0 kB	[檔案列表]
ppc64el	202409.2-2	242。1 kB	653。0 kB	[檔案列表]
riscv64	202409.2-2	237。3 kB	537。0 kB	[檔案列表]
s390x	202409.2-2	237。4 kB	605。0 kB	[檔案列表]
sparc64 （非官方移植版）	202309.3-6	193。4 kB	1，224。0 kB	[檔案列表]