Package: librdkit-dev (202503.1-2 and others)

Links for librdkit-dev

Debian Resources:

Download Source Package rdkit:

Maintainers:

External Resources:

Homepage [www.rdkit.org]

Similar packages:

Samling af cheminformatics og maskinlæringsprogrammer - udviklingsfiler

RDKit er et programmiljø baseret på Python/C++ cheminformatics og maskinlæring. Funktioner omfatter:

 * Kemisk reaktionshåndtering og -transformationer
 * Underkonstruktionssøgning med SMARTS
 * Kanoniske SMILES
 * Molekyle-molekyle tilpasning
 * Stort antal molekylære deskriptorer, herunder topologiske,
   kompositoriske, Estate-, SlogP/SMR-, VSA- og Feature-map-vektorer
 * Fragmentering via RECAP-regler
 * 2D-koordinatoprettelse og skildring, herunder begrænset skildring
 * 3D-koordinatoprettelse via geometriindlejring
 * UFF- og MMFF94-kraftfelter
 * Chiralitet-understøttelse, herunder beregning af (R/S)-stereokemikoder
 * 2D-farmakoforsøgning
 * Fingeraftryk, herunder Daylight-lignende, atompar, topologiske
   vridninger, Morganalogritme og MACCS-nøgler
 * Beregning af formlighed
 * Fler-molekyle maksimum for fælles understruktur
 * Maskinlæring via klyngedannelse og informationsteorialgoritmer
 * Delvis Gasteiger-Marsili-opladningsberegning

Filformater som RDKit understøtter inkluderer de binære formater MDL Mol, FBF, SDF, TDT, SMILES og RDKit.

Denne pakke indeholder hovedfilerne.

Tags: Software Development: Libraries, Role: Development Library

Other Packages Related to librdkit-dev

depends

recommends

suggests

enhances

dep: librdkit1 (= 202009.5-2) [hppa]

Samling af cheminformatics og maskinlæringsprogrammer - delte biblioteker
dep: librdkit1t64 (= 202309.3-6) [sparc64]

Samling af cheminformatics og maskinlæringsprogrammer - delte biblioteker

dep: librdkit1t64 (= 202409.2-2) [m68k, ppc64]

dep: librdkit1t64 (= 202503.1-2) [not hppa, m68k, ppc64, sparc64]

Download librdkit-dev

Download for all available architectures
Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
amd64	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
arm64	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
hppa (unofficial port)	202009.5-2	339.1 kB	2,039.0 kB	[list of files]
loong64 (unofficial port)	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
m68k (unofficial port)	202409.2-2	441.5 kB	2,538.0 kB	[list of files]
mips64el	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
ppc64 (unofficial port)	202409.2-2	441.5 kB	2,538.0 kB	[list of files]
ppc64el	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
riscv64	202503.1-2	473.5 kB	2,743.0 kB	[list of files]
sh4 (unofficial port)	201212-1	156.4 kB	896.0 kB	[list of files]
sparc64 (unofficial port)	202309.3-6	401.3 kB	2,330.0 kB	[list of files]
x32 (unofficial port)	201212-1	157.1 kB	896.0 kB	[list of files]