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[ Source: rdkit ]
Package: postgresql-17-rdkit (202503.1-5 and others)
Links for postgresql-17-rdkit
Debian Resources:
Download Source Package rdkit:
Maintainers:
- Debichem Team (QA Page, Mail Archive)
- Michael Banck (QA Page)
- Andrius Merkys (QA Page)
- Roland Mas (QA Page)
External Resources:
- Homepage [www.rdkit.org]
Similar packages:
Cheminformatics and machine-learning software (PostgreSQL Cartridge)
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 PostgreSQL extension.
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- dep: postgresql-17
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Download postgresql-17-rdkit
| Architecture | Version | Package Size | Installed Size | Files |
|---|---|---|---|---|
| alpha (unofficial port) | 202503.1-5 | 242.4 kB | 667.0 kB | [list of files] |
| m68k (unofficial port) | 202409.2-2 | 231.7 kB | 548.0 kB | [list of files] |
| ppc64 (unofficial port) | 202409.2-2 | 244.4 kB | 717.0 kB | [list of files] |
| riscv64 | 202503.1-5 | 243.8 kB | 546.0 kB | [list of files] |
| sparc64 (unofficial port) | 202309.3-6 | 193.4 kB | 1,224.0 kB | [list of files] |