Paket: librdkit-dev (202409.4-1 ve diğerleri)

[ Kaynak: rdkit  ]

Collection of cheminformatics and machine-learning software (development files)

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 header files.

Etiketler: Yazılım Geliştirme: Kitaplıklar, Rol: Geliştirme Kitaplığı

librdkit-dev ile İlgili Diğer Paketler

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

  Collection of cheminformatics and machine-learning software (shared libraries)

• dep: librdkit1t64 (= 202309.3-4) [alpha]

  Collection of cheminformatics and machine-learning software (shared libraries)

  dep: librdkit1t64 (= 202309.3-6) [sparc64]

  dep: librdkit1t64 (= 202409.2-2) [m68k, ppc64, s390x]

  dep: librdkit1t64 (= 202409.4-1+b1) [amd64, arm64, mips64el, ppc64el, riscv64]

librdkit-dev indir

Tüm mevcut mimariler için indir

Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
alpha (resmi olmayan port)	202309.3-4	405,3 kB	2.358,0 kB	[dosya listesi]
amd64	202409.4-1+b1	460,2 kB	2.656,0 kB	[dosya listesi]
arm64	202409.4-1+b1	460,1 kB	2.656,0 kB	[dosya listesi]
hppa (resmi olmayan port)	202009.5-2	339,1 kB	2.039,0 kB	[dosya listesi]
m68k (resmi olmayan port)	202409.2-2	441,5 kB	2.538,0 kB	[dosya listesi]
mips64el	202409.4-1+b1	460,2 kB	2.656,0 kB	[dosya listesi]
ppc64 (resmi olmayan port)	202409.2-2	441,5 kB	2.538,0 kB	[dosya listesi]
ppc64el	202409.4-1+b1	460,1 kB	2.656,0 kB	[dosya listesi]
riscv64	202409.4-1+b1	460,2 kB	2.656,0 kB	[dosya listesi]
s390x	202409.2-2	441,5 kB	2.538,0 kB	[dosya listesi]
sh4 (resmi olmayan port)	201212-1	156,4 kB	896,0 kB	[dosya listesi]
sparc64 (resmi olmayan port)	202309.3-6	401,3 kB	2.330,0 kB	[dosya listesi]
x32 (resmi olmayan port)	201212-1	157,1 kB	896,0 kB	[dosya listesi]