python3-rdkit binary package in Ubuntu Jammy s390x

 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.

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2022-03-02 17:45:17 UTC Published Ubuntu Jammy s390x release universe python Optional 202109.2-1build1
  • Published
  • Copied from ubuntu jammy-proposed s390x in Primary Archive for Ubuntu
  Deleted Ubuntu Jammy s390x proposed universe python Optional 202109.2-1build1
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to jammy

  • Published
  2022-03-02 18:00:59 UTC Superseded Ubuntu Jammy s390x release universe python Optional 202109.2-1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of rdkit 202109.2-1build1 in ubuntu jammy PROPOSED
  • Published
  • Copied from ubuntu jammy-proposed s390x in Primary Archive for Ubuntu
  2022-03-03 18:10:09 UTC Deleted Ubuntu Jammy s390x proposed universe python Optional 202109.2-1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to jammy

  • Published
  2021-12-09 15:14:56 UTC Superseded Ubuntu Jammy s390x release universe python Optional 202009.5-1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of rdkit 202109.2-1 in ubuntu jammy PROPOSED
  • Published
  • Copied from ubuntu impish-proposed s390x in Primary Archive for Ubuntu

Source package