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RDKit

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  1. rdkit rdkit Public

    The official sources for the RDKit library

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Repositories

Showing 10 of 39 repositories
  • 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 150 BSD-3-Clause 36 28 20 Updated Nov 1, 2024
  • rdkit Public

    The official sources for the RDKit library

    rdkit/rdkit’s past year of commit activity
    HTML 2,647 BSD-3-Clause 882 883 66 Updated Nov 1, 2024
  • knime-rdkit Public

    The RDKit nodes for the KNIME Analytics Platform

    rdkit/knime-rdkit’s past year of commit activity
    Java 26 13 25 0 Updated Oct 31, 2024
  • rdkit-build-helpers Public

    Recipes to build RDKit artifacts (e.g., Java and C# libraries, NuGet packages) and some usage examples

    rdkit/rdkit-build-helpers’s past year of commit activity
    C# 1 BSD-3-Clause 3 0 0 Updated Oct 30, 2024
  • knime-lwreg Public

    KNIME nodes for working with lwreg

    rdkit/knime-lwreg’s past year of commit activity
    Python 3 MIT 5 0 2 Updated Oct 28, 2024
  • UGM_2024 Public

    13th RDKit UGM. 11-13 September in Zurich, Switzerland

    rdkit/UGM_2024’s past year of commit activity
    Jupyter Notebook 23 9 0 0 Updated Oct 7, 2024
  • rdkit-structure-renderer Public

    JavaScript package for interactive rendering of 2D chemical structures in the browser.

    rdkit/rdkit-structure-renderer’s past year of commit activity
    HTML 18 2 2 0 Updated Sep 27, 2024
  • molecular_templates Public
    rdkit/molecular_templates’s past year of commit activity
    C++ 0 BSD-2-Clause 5 0 0 Updated Sep 13, 2024
  • 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 210 57 24 2 Updated Apr 30, 2024
  • django-rdkit Public
    rdkit/django-rdkit’s past year of commit activity
    Python 55 BSD-3-Clause 28 8 1 Updated Apr 29, 2024
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cheminformatics rdkit