Skip to content
@rdkit

RDKit

Pinned Loading

  1. rdkit Public

    The official sources for the RDKit library

    HTML 2.9k 912

Repositories

Showing 10 of 40 repositories
  • rdkit Public

    The official sources for the RDKit library

    HTML 2,881 BSD-3-Clause 912 111 33 Updated Apr 22, 2025
  • rdkit-js Public

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

    Dockerfile 183 BSD-3-Clause 37 26 19 Updated Apr 21, 2025
  • UGM_NA2025 Public
    0 1 0 0 Updated Apr 10, 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 12 BSD-3-Clause 1 2 0 Updated Feb 28, 2025
  • mmpdb Public

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

    Python 231 63 24 1 Updated Jan 12, 2025
  • knime-rdkit Public

    The RDKit nodes for the KNIME Analytics Platform

    Java 26 16 24 2 Updated Dec 5, 2024
  • UGM_2024 Public

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

    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

    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
  • knime-lwreg Public

    KNIME nodes for working with lwreg

    Python 3 MIT 5 0 2 Updated Oct 28, 2024
View all repositories

Most used topics

cheminformatics rdkit