Skip to content
@rdkit

RDKit

Pinned Loading

  1. rdkit rdkit Public

    The official sources for the RDKit library

    HTML 3.2k 956

Repositories

Showing 10 of 41 repositories
  • rdkit Public

    The official sources for the RDKit library

    rdkit/rdkit’s past year of commit activity
    HTML 3,196 BSD-3-Clause 956 106 37 Updated Dec 13, 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 212 BSD-3-Clause 40 27 20 Updated Dec 12, 2025
  • django-rdkit Public
    rdkit/django-rdkit’s past year of commit activity
    Python 55 BSD-3-Clause 29 8 1 Updated Dec 12, 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 25 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++ 44 MIT 13 4 0 Updated Sep 27, 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 13 BSD-3-Clause 1 0 0 Updated Aug 28, 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 262 68 18 1 Updated May 20, 2025
View all repositories

Most used topics

cheminformatics rdkit