[ sid ]
[ experimental ]
[ Source: rdkit ]
Package: postgresql-16-rdkit (202309.3-3 and others)
Links for postgresql-16-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-16-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 (>= 2.27) [riscv64]
- dep: libc6 (>= 2.4) [not alpha, amd64, arm64, ppc64el, riscv64]
-
- dep: libc6.1 (>= 2.1.3) [alpha]
- GNU C Library: Shared libraries
also a virtual package provided by libc6.1-udeb
-
- dep: libgcc-s1 (>= 3.0) [not alpha, armel, armhf, m68k, riscv64, sparc64]
- GCC support library
- dep: libgcc-s1 (>= 3.4) [alpha, riscv64, sparc64]
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: libgcc-s2 (>= 4.2.1) [m68k]
- GCC support library
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- dep: librdkit1 (>= 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-16
- The World's Most Advanced Open Source Relational Database
Download postgresql-16-rdkit
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
alpha (unofficial port) | 202309.3-2 | 206.8 kB | 576.0 kB | [list of files] |
amd64 | 202309.3-3+b1 | 480.5 kB | 1,127.0 kB | [list of files] |
arm64 | 202309.3-3+b1 | 470.6 kB | 1,136.0 kB | [list of files] |
armel | 202309.3-3+b1 | 460.0 kB | 1,105.0 kB | [list of files] |
armhf | 202309.3-3+b1 | 460.3 kB | 1,034.0 kB | [list of files] |
i386 | 202309.3-3+b1 | 493.6 kB | 1,160.0 kB | [list of files] |
m68k (unofficial port) | 202309.3-3 | 205.8 kB | 474.0 kB | [list of files] |
mips64el | 202309.3-3+b1 | 468.6 kB | 1,160.0 kB | [list of files] |
ppc64 (unofficial port) | 202309.3-2 | 491.3 kB | 1,310.0 kB | [list of files] |
ppc64el | 202309.3-3+b1 | 484.3 kB | 1,219.0 kB | [list of files] |
riscv64 | 202309.3-3+b1 | 208.6 kB | 452.0 kB | [list of files] |
s390x | 202309.3-3+b1 | 518.5 kB | 1,214.0 kB | [list of files] |
sparc64 (unofficial port) | 202309.3-3 | 195.4 kB | 1,224.0 kB | [list of files] |