Balík: librdkit1t64 (202503.1-5)

Odkazy pre librdkit1t64

Zdroje Debian:

Stiahnuť zdrojový balík rdkit:

Správcovia:

Externé zdroje:

Domovská stránka [www.rdkit.org]

Podobné balíky:

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.

Ostatné balíky súvisiace s balíkom librdkit1t64

závisí

odporúča

navrhuje

vylepšuje

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

knižnica Boost.Iostreams
dep: libboost-python1.83.0 (>= 1.83.0)

knižnica Boost.Python
dep: libboost-python1.83.0-py313

virtuálny balík poskytovaný balíkom libboost-python1.83.0
dep: libboost-serialization1.83.0 (>= 1.83.0)

knižnica na serializáciu pre C++
dep: libc6 (>= 2.38)

knižnica GNU C - zdieľané knižnice
tiež virtuálny balík poskytovaný balíkom libc6-udeb
dep: libcairo2 (>= 1.4.10)

2D vektorová grafická knižnica Cairo
dep: libcoordgen3 (>= 3.0.2)

2D coordinate generation for chemical compounds
dep: libfreetype6 (>= 2.2.1)

správa písiem FreeType 2 - zdieľané knižnice
dep: libgcc-s1 (>= 3.3) [arm64]

podporná knižnica GCC

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

dep: libgcc-s1 (>= 3.4.4) [ppc64el]
dep: libinchi1.07 (>= 1.07.3+dfsg)

International Chemical Identifier (InChI) algorithm (library)
dep: libmaeparser1 (>= 1.3.1)

parser for Schrödinger Maestro files
dep: libstdc++6 (>= 14)

štandardná knižnica C++ GNU v3

Stiahnuť librdkit1t64

Stiahnuť pre všetky dostupné architektúry
Architektúra	Veľkosť balíka	Nainštalovaná veľkosť	Súbory
amd64	5,507.6 kB	24,194.0 kB	[zoznam súborov]
arm64	4,807.8 kB	24,795.0 kB	[zoznam súborov]
ppc64el	5,484.6 kB	29,082.0 kB	[zoznam súborov]
riscv64	5,201.8 kB	19,473.0 kB	[zoznam súborov]