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RDKit

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  1. rdkit rdkit Public

    The official sources for the RDKit library

    HTML 3.3k 973

Repositories

Showing 10 of 42 repositories
  • rdkit Public

    The official sources for the RDKit library

    rdkit/rdkit’s past year of commit activity
    HTML 3,261 BSD-3-Clause 973 97 29 Updated Jan 27, 2026
  • mmpdb Public

    A package to identify matched molecular pairs and use them to predict property changes.

    rdkit/mmpdb’s past year of commit activity
    Python 271 68 18 1 Updated Jan 25, 2026
  • rdkit-js Public

    A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

    rdkit/rdkit-js’s past year of commit activity
    Dockerfile 217 BSD-3-Clause 40 27 24 Updated Jan 22, 2026
  • django-rdkit Public
    rdkit/django-rdkit’s past year of commit activity
    Python 55 BSD-3-Clause 29 8 1 Updated Dec 12, 2025
  • knime-python-rdkit Public Forked from knime/knime-python-extension-template
    rdkit/knime-python-rdkit’s past year of commit activity
    Python 0 Apache-2.0 3 0 0 Updated Dec 5, 2025
  • molecular_templates Public
    rdkit/molecular_templates’s past year of commit activity
    C++ 0 BSD-2-Clause 5 0 0 Updated Nov 27, 2025
  • knime-rdkit Public

    The RDKit nodes for the KNIME Analytics Platform

    rdkit/knime-rdkit’s past year of commit activity
    Java 27 17 24 1 Updated Nov 6, 2025
  • UGM_2025 Public

    2025 RDKit UGM

    rdkit/UGM_2025’s past year of commit activity
    Jupyter Notebook 29 2 0 0 Updated Oct 27, 2025
  • knime-lwreg Public

    KNIME nodes for working with lwreg

    rdkit/knime-lwreg’s past year of commit activity
    Python 4 MIT 6 0 0 Updated Oct 24, 2025
  • shape-it Public

    Updated version of Silicos-it's shape-based alignment tool

    rdkit/shape-it’s past year of commit activity
    C++ 47 MIT 13 4 0 Updated Sep 27, 2025
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Most used topics

cheminformatics rdkit