Paketti: librdkit1t64 (202409.6-2 ja muut)

[ Source: rdkit  ]

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.

Muut pakettiin librdkit1t64 liittyvät paketit

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

  Boost.Iostreams -kirjasto

• dep: libboost-python1.83.0 (>= 1.83.0)

  Boost.Python Library

• dep: libboost-python1.83.0-py312 [alpha, m68k, ppc64, sparc64]

  näennäispaketti, jonka toteuttaa libboost-python1.83.0

• dep: libboost-python1.83.0-py313 [ei alpha, m68k, ppc64, sparc64]

  näennäispaketti, jonka toteuttaa libboost-python1.83.0

• dep: libboost-regex1.83.0-icu72 [sparc64]

  näennäispaketti, jonka toteuttaa libboost-regex1.83.0

• dep: libboost-serialization1.83.0 (>= 1.83.0)

  serialization library for C++

• dep: libboost-system1.83.0 (>= 1.83.0) [sparc64]

  Operating system (e.g. diagnostics support) library

• dep: libc6 (>= 2.38) [ei alpha]

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libc6.1 (>= 2.38) [alpha]

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6.1-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 (>= 3.3) [arm64]

  GCC:n apukirjasto

  dep: libgcc-s1 (>= 3.4) [ei arm64, m68k, ppc64, ppc64el]

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

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC:n apukirjasto

• dep: libinchi1.07 (>= 1.07.1+dfsg) [m68k, ppc64, sparc64]

  International Chemical Identifier (InChI) algorithm (library)

  dep: libinchi1.07 (>= 1.07.3+dfsg) [ei alpha, m68k, ppc64, sparc64]

• dep: libmaeparser1 (>= 1.3.1)

  parser for Schrödinger Maestro files

• dep: libpython3.12t64 (>= 3.12.1) [alpha, sparc64]

  Shared Python runtime library (version 3.12)

• dep: libstdc++6 (>= 13.1) [m68k]

  GNU standardi C++ -kirjasto, versio 3

  dep: libstdc++6 (>= 14) [ei m68k]

Imuroi librdkit1t64

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Versio	Paketin koko	Koko asennettuna	Tiedostot
alpha (epävirallinen siirros)	202309.3-4	4,462.6 kt	24,018.0 kt	[tiedostoluettelo]
amd64	202409.6-2	5,394.6 kt	23,691.0 kt	[tiedostoluettelo]
arm64	202409.6-2	4,704.8 kt	24,468.0 kt	[tiedostoluettelo]
m68k (epävirallinen siirros)	202409.2-2	4,688.4 kt	21,028.0 kt	[tiedostoluettelo]
mips64el	202409.6-2	4,666.5 kt	27,532.0 kt	[tiedostoluettelo]
ppc64 (epävirallinen siirros)	202409.2-2	5,122.0 kt	29,052.0 kt	[tiedostoluettelo]
ppc64el	202409.6-2	5,360.6 kt	28,499.0 kt	[tiedostoluettelo]
riscv64	202409.6-2	5,090.2 kt	19,067.0 kt	[tiedostoluettelo]
sparc64 (epävirallinen siirros)	202309.3-6	4,127.9 kt	64,288.0 kt	[tiedostoluettelo]