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[ Source: rdkit ]
Package: postgresql-15-rdkit (202209.3-1)
Links for postgresql-15-rdkit
Debian Resources:
Download Source Package rdkit:
Maintainers:
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.
Other Packages Related to postgresql-15-rdkit
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb
- dep: libc6 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.4) [not amd64, arm64, ppc64el]
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- dep: libgcc-s1 (>= 3.0) [not armel, armhf]
- GCC support library
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: librdkit1 (>= 202209.3)
- Collection of cheminformatics and machine-learning software (shared libraries)
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- dep: libstdc 6 (>= 5.2)
- GNU Standard C Library v3
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- dep: postgresql-15
- The World's Most Advanced Open Source Relational Database
Download postgresql-15-rdkit
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 368.2 kB | 847.0 kB | [list of files] |
| arm64 | 359.9 kB | 875.0 kB | [list of files] |
| armel | 357.4 kB | 848.0 kB | [list of files] |
| armhf | 358.7 kB | 837.0 kB | [list of files] |
| i386 | 376.0 kB | 862.0 kB | [list of files] |
| mips64el | 358.4 kB | 899.0 kB | [list of files] |
| mipsel | 360.5 kB | 905.0 kB | [list of files] |
| ppc64el | 370.4 kB | 961.0 kB | [list of files] |
| s390x | 168.0 kB | 402.0 kB | [list of files] |