Raw Package Information

Package: postgresql-11-rdkit
Source: rdkit
Version: 202303.3-3.pgdg22.04+1
Architecture: amd64
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 895
Depends: libc6 (>= 2.14), libgcc-s1 (>= 3.0), librdkit1 (>= 202303.3), libstdc++6 (>= 5.2), postgresql-11, postgresql-11-jit-llvm (>= 14)
Homepage: http://www.rdkit.org
Priority: optional
Section: database
Filename: pool/main/r/rdkit/postgresql-11-rdkit_202303.3-3.pgdg22.04+1_amd64.deb
Size: 403072
SHA256: 02c446337836e9d5e33ca326f289a321290ab1685b779809661075f690e41584
SHA1: 30baf1114a4cffb888bfe9a91e3aebed8b1f3317
MD5sum: e8f17c135f51ddc3f3e8947cc14fdd6c
Description: 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.