+
Skip to content
@rdkit

RDKit

Pinned Loading

  1. rdkit rdkit Public

    The official sources for the RDKit library

    HTML 3.1k 950

Repositories

Showing 10 of 41 repositories
  • rdkit Public

    The official sources for the RDKit library

    rdkit/rdkit’s past year of commit activity
    HTML 3,107 BSD-3-Clause 950 110 33 Updated Oct 15, 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 208 BSD-3-Clause 39 26 14 Updated Oct 1, 2025
  • shape-it Public

    Updated version of Silicos-it's shape-based alignment tool

    rdkit/shape-it’s past year of commit activity
    C++ 43 MIT 13 4 0 Updated Sep 27, 2025
  • UGM_2025 Public

    2025 RDKit UGM

    rdkit/UGM_2025’s past year of commit activity
    Jupyter Notebook 26 2 0 0 Updated Sep 23, 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
  • 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 Jul 29, 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 253 68 18 1 Updated May 20, 2025
  • molecular_templates Public
    rdkit/molecular_templates’s past year of commit activity
    C++ 0 BSD-2-Clause 5 0 0 Updated May 9, 2025
  • UGM_NA2025 Public
    rdkit/UGM_NA2025’s past year of commit activity
    0 2 0 0 Updated May 5, 2025
  • UGM_2024 Public

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

    rdkit/UGM_2024’s past year of commit activity
    Jupyter Notebook 27 13 0 0 Updated Nov 28, 2024
View all repositories

Most used topics

cheminformatics rdkit
点击 这是indexloc提供的php浏览器服务，不要输入任何密码和下载