[ Source: rdkit ]
Package: librdkit1 (202309.3-3 and others)
Links for librdkit1
Debian Resources:
Download Source Package rdkit:
Maintainers:
External Resources:
- Homepage [www.rdkit.org]
Similar packages:
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.
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Download librdkit1
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
alpha (unofficial port) | 202309.3-2 | 4,415.1 kB | 24,419.0 kB | [list of files] |
amd64 | 202309.3-3+b1 | 4,796.5 kB | 21,400.0 kB | [list of files] |
arm64 | 202309.3-3+b1 | 4,224.8 kB | 22,013.0 kB | [list of files] |
armel | 202309.3-3+b1 | 4,097.9 kB | 18,916.0 kB | [list of files] |
armhf | 202309.3-3+b1 | 4,130.0 kB | 14,720.0 kB | [list of files] |
hppa (unofficial port) | 202009.5-2 | 3,512.0 kB | 17,194.0 kB | [list of files] |
i386 | 202309.3-3+b1 | 4,985.3 kB | 21,123.0 kB | [list of files] |
m68k (unofficial port) | 202309.3-3 | 4,464.0 kB | 19,970.0 kB | [list of files] |
mips64el | 202309.3-3+b1 | 3,992.0 kB | 25,370.0 kB | [list of files] |
ppc64 (unofficial port) | 202309.3-2 | 4,726.2 kB | 27,638.0 kB | [list of files] |
ppc64el | 202309.3-3+b1 | 4,761.6 kB | 26,238.0 kB | [list of files] |
riscv64 | 202309.3-3+b1 | 4,604.4 kB | 17,553.0 kB | [list of files] |
s390x | 202309.3-3+b1 | 4,685.1 kB | 21,705.0 kB | [list of files] |
sh4 (unofficial port) | 201212-1 | 2,234.2 kB | 5,264.0 kB | [list of files] |
sparc64 (unofficial port) | 202309.3-3 | 4,131.9 kB | 63,285.0 kB | [list of files] |
x32 (unofficial port) | 201212-1 | 1,968.8 kB | 4,728.0 kB | [list of files] |