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RDKit

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  1. rdkit rdkit Public

    The official sources for the RDKit library

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Showing 10 of 40 repositories
  • rdkit Public

    The official sources for the RDKit library

    rdkit/rdkit’s past year of commit activity
    HTML 2,826 BSD-3-Clause 906 113 31 Updated Mar 12, 2025
  • 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 177 BSD-3-Clause 36 27 19 Updated Mar 11, 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.

    rdkit/laplaciannb’s past year of commit activity
    Python 12 BSD-3-Clause 1 2 0 Updated Feb 28, 2025
  • UGM_NA2025 Public
    rdkit/UGM_NA2025’s past year of commit activity
    0 0 0 0 Updated Jan 30, 2025
  • 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 223 62 24 1 Updated Jan 12, 2025
  • knime-rdkit Public

    The RDKit nodes for the KNIME Analytics Platform

    rdkit/knime-rdkit’s past year of commit activity
    Java 26 15 24 1 Updated Dec 5, 2024
  • UGM_2024 Public

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

    rdkit/UGM_2024’s past year of commit activity
    Jupyter Notebook 25 12 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

    rdkit/rdkit-build-helpers’s past year of commit activity
    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.

    rdkit/rdkit-structure-renderer’s past year of commit activity
    HTML 19 2 2 0 Updated Nov 13, 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
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cheminformatics rdkit
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