[ experimental ]
[ Source: rdkit ]
Package: librdkit1t64 (202309.3-4~exp1)
Links for librdkit1t64
Debian Resources:
Download Source Package rdkit:
Maintainers:
External Resources:
- Homepage [www.rdkit.org]
Similar packages:
Experimental package
Warning: This package is from the experimental distribution. That means it is likely unstable or buggy, and it may even cause data loss. Please be sure to consult the changelog and other possible documentation before using it.
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 | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 4,795.5 kB | 21,399.0 kB | [list of files] |
| arm64 | 4,223.2 kB | 22,012.0 kB | [list of files] |
| armel | 4,098.6 kB | 18,915.0 kB | [list of files] |
| armhf | 4,131.8 kB | 14,719.0 kB | [list of files] |
| i386 | 4,982.1 kB | 21,122.0 kB | [list of files] |
| m68k (unofficial port) | 4,462.8 kB | 19,970.0 kB | [list of files] |
| mips64el | 3,991.8 kB | 25,370.0 kB | [list of files] |
| ppc64el | 4,762.5 kB | 26,237.0 kB | [list of files] |
| riscv64 | 4,604.7 kB | 17,552.0 kB | [list of files] |
| s390x | 4,684.3 kB | 21,705.0 kB | [list of files] |
| sparc64 (unofficial port) | 4,133.3 kB | 63,285.0 kB | [list of files] |