Pakket: librdkit1t64 (202409.4-1 en anderen)

[ Bron: 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.

Andere aan librdkit1t64 gerelateerde pakketten

• 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 [alpha, m68k, ppc64, s390x, sparc64]

  virtueel pakket geboden door libboost-python1.83.0

• dep: libboost-python1.83.0-py313 [amd64, arm64, mips64el, ppc64el, riscv64]

  virtueel pakket geboden door libboost-python1.83.0

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

  virtueel pakket geboden door 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) [niet alpha]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

• dep: libc6.1 (>= 2.38) [alpha]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: 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, s390x]

  GCC support bibliotheek

  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 support bibliotheek

• dep: libinchi1.07 (>= 1.07.1+dfsg) [niet alpha]

  International Chemical Identifier (InChI) algorithm (library)

• 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 Standard C++ Library v3

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

librdkit1t64 downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
alpha (unofficial port)	202309.3-4	4.462,6 kB	24.018,0 kB	[overzicht]
amd64	202409.4-1	5.381,7 kB	23.657,0 kB	[overzicht]
arm64	202409.4-1	4.698,1 kB	24.594,0 kB	[overzicht]
m68k (unofficial port)	202409.2-2	4.688,4 kB	21.028,0 kB	[overzicht]
mips64el	202409.4-1	4.652,4 kB	27.584,0 kB	[overzicht]
ppc64 (unofficial port)	202409.2-2	5.122,0 kB	29.052,0 kB	[overzicht]
ppc64el	202409.4-1	5.341,2 kB	28.561,0 kB	[overzicht]
riscv64	202409.4-1	5.078,8 kB	19.037,0 kB	[overzicht]
s390x	202409.2-2	5.052,0 kB	23.068,0 kB	[overzicht]
sparc64 (unofficial port)	202309.3-6	4.127,9 kB	64.288,0 kB	[overzicht]