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[ sid ]
[ Source: rdkit ]
Package: librdkit1t64 (202309.3-7 and others)
Links for librdkit1t64
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 librdkit1t64
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
alpha (unofficial port) | 202309.3-4 | 4,462.6 kB | 24,018.0 kB | [list of files] |
amd64 | 202309.3-7 | 4,922.3 kB | 21,581.0 kB | [list of files] |
arm64 | 202309.3-7 | 4,301.3 kB | 22,206.0 kB | [list of files] |
armel | 202309.3-7 | 4,142.2 kB | 18,856.0 kB | [list of files] |
armhf | 202309.3-7 | 4,159.7 kB | 14,628.0 kB | [list of files] |
i386 | 202309.3-7 | 5,082.4 kB | 21,288.0 kB | [list of files] |
m68k (unofficial port) | 202309.3-6 | 4,403.2 kB | 19,781.0 kB | [list of files] |
mips64el | 202309.3-7 | 4,013.0 kB | 24,821.0 kB | [list of files] |
ppc64 (unofficial port) | 202309.3-7 | 4,770.6 kB | 27,510.0 kB | [list of files] |
ppc64el | 202309.3-7 | 4,826.6 kB | 26,237.0 kB | [list of files] |
riscv64 | 202309.3-7 | 4,655.5 kB | 17,357.0 kB | [list of files] |
s390x | 202309.3-7 | 4,763.5 kB | 21,674.0 kB | [list of files] |
sparc64 (unofficial port) | 202309.3-6 | 4,127.9 kB | 64,288.0 kB | [list of files] |