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RDKit

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  1. rdkit Public

    The official sources for the RDKit library

    HTML 3k 929

Repositories

Showing 10 of 40 repositories
  • rdkit-js Public

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

    Dockerfile 195 BSD-3-Clause 38 26 0 Updated Jul 10, 2025
  • rdkit Public

    The official sources for the RDKit library

    HTML 2,997 BSD-3-Clause 929 110 27 Updated Jul 10, 2025
  • mmpdb Public

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

    Python 238 67 19 2 Updated May 20, 2025
  • knime-rdkit Public

    The RDKit nodes for the KNIME Analytics Platform

    Java 25 17 24 1 Updated May 17, 2025
  • molecular_templates Public
    C++ 0 BSD-2-Clause 5 0 0 Updated May 9, 2025
  • UGM_NA2025 Public
    0 2 0 0 Updated May 5, 2025
  • laplaciannb Public

    LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.

    Python 13 BSD-3-Clause 1 3 0 Updated Feb 28, 2025
  • UGM_2024 Public

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

    Jupyter Notebook 27 13 0 0 Updated Nov 28, 2024
  • rdkit-build-helpers Public

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

    C# 1 BSD-3-Clause 3 1 0 Updated Nov 19, 2024
  • rdkit-structure-renderer Public

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

    HTML 19 2 2 0 Updated Nov 13, 2024
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Most used topics

cheminformatics rdkit