Paket: librdkit1t64 (202503.1-2 och andra)

[ Källkod: 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.

Andra paket besläktade med librdkit1t64

• 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 [m68k, ppc64, sparc64]

  virtuellt paket som tillhandahålls av libboost-python1.83.0

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

  virtuellt paket som tillhandahålls av libboost-python1.83.0

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

  virtuellt paket som tillhandahålls av 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) [ej alpha, loong64]

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

  dep: libc6 (>= 2.41) [loong64]

• dep: libc6.1 (>= 2.38) [alpha]

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av 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, loong64]

  GCC stödbibliotek

  dep: libgcc-s1 (>= 3.4) [alpha, amd64, mips64el, riscv64, sparc64]

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

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC stödbibliotek

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

  International Chemical Identifier (InChI) algorithm (library)

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

• dep: libmaeparser1 (>= 1.3.1)

  parser for Schrödinger Maestro files

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

  Shared Python runtime library (version 3.12)

• dep: libstdc++6 (>= 13.1) [m68k]

  GNU standardbibliotek v3 för C++

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

Hämta librdkit1t64

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
alpha (inofficiell anpassning)	202503.1-2	5.075,7 kbyte	27.268,0 kbyte	[filförteckning]
amd64	202503.1-2	5.471,9 kbyte	24.057,0 kbyte	[filförteckning]
arm64	202503.1-2	4.779,8 kbyte	24.662,0 kbyte	[filförteckning]
loong64 (inofficiell anpassning)	202503.1-2	4.965,7 kbyte	24.786,0 kbyte	[filförteckning]
m68k (inofficiell anpassning)	202409.2-2	4.688,4 kbyte	21.028,0 kbyte	[filförteckning]
mips64el	202503.1-2	4.732,2 kbyte	27.889,0 kbyte	[filförteckning]
ppc64 (inofficiell anpassning)	202409.2-2	5.122,0 kbyte	29.052,0 kbyte	[filförteckning]
ppc64el	202503.1-2	5.445,0 kbyte	28.885,0 kbyte	[filförteckning]
riscv64	202503.1-2	5.166,0 kbyte	19.368,0 kbyte	[filförteckning]
sparc64 (inofficiell anpassning)	202309.3-6	4.127,9 kbyte	64.288,0 kbyte	[filförteckning]