[ sid ]
[ Source: rdkit ]
Package: postgresql-17-rdkit (202309.3-7 and others)
Links for postgresql-17-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-17-rdkit
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- dep: libc6 (>= 2.38)
- GNU C könyvtár: megosztott könyvtárak
also a virtual package provided by libc6-udeb
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- dep: libgcc-s1 (>= 3.0) [not armel, armhf, m68k, riscv64, sparc64]
- GCC támogató programkönyvtár
- dep: libgcc-s1 (>= 3.4) [riscv64, sparc64]
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: libgcc-s2 (>= 4.2.1) [m68k]
- GCC támogató programkönyvtár
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- dep: librdkit1t64 (>= 202309.3)
- Collection of cheminformatics and machine-learning software (shared libraries)
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- dep: libstdc++6 (>= 13.1)
- GNU Standard C++ Library v3
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- dep: postgresql-17
- The World's Most Advanced Open Source Relational Database
Download postgresql-17-rdkit
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
amd64 | 202309.3-7 | 480.9 kB | 1,127.0 kB | [list of files] |
arm64 | 202309.3-7 | 471.0 kB | 1,135.0 kB | [list of files] |
armel | 202309.3-7 | 460.9 kB | 1,103.0 kB | [list of files] |
armhf | 202309.3-7 | 461.3 kB | 1,032.0 kB | [list of files] |
i386 | 202309.3-7 | 494.2 kB | 1,158.0 kB | [list of files] |
m68k (unofficial port) | 202309.3-6 | 204.0 kB | 466.0 kB | [list of files] |
mips64el | 202309.3-7 | 469.5 kB | 1,158.0 kB | [list of files] |
ppc64 (unofficial port) | 202309.3-7 | 491.1 kB | 1,311.0 kB | [list of files] |
ppc64el | 202309.3-7 | 484.7 kB | 1,219.0 kB | [list of files] |
riscv64 | 202309.3-7 | 208.5 kB | 447.0 kB | [list of files] |
s390x | 202309.3-7 | 519.5 kB | 1,213.0 kB | [list of files] |
sparc64 (unofficial port) | 202309.3-6 | 193.4 kB | 1,224.0 kB | [list of files] |