• The official sources for the RDKit library

    C++ 396 227 Updated Aug 14, 2018
  • A package to identify matched molecular pairs and use them to predict property changes.

    Python 16 13 Updated Aug 8, 2018
  • Containers for building and working with the RDKit

    Ruby 3 2 Apache-2.0 Updated Aug 7, 2018
  • Conda build recipe for the rdkit

    C 24 20 Updated Aug 3, 2018
  • The RDKit nodes for the KNIME Analytics Platform

    HTML 5 2 Updated Jul 31, 2018
  • Older clone of the RDKit subversion repository at http://sourceforge.net/projects/rdkit/

    C++ 6 8 Updated Jul 23, 2018
  • Python 14 10 BSD-3-Clause Updated Jun 17, 2018
  • Homebrew formula for rdkit

    Ruby 25 14 Updated May 23, 2018
  • Tutorials to learn how to work with the RDKit

    Jupyter Notebook 25 13 Updated Dec 19, 2017
  • 2017 RDKit UGM

    Jupyter Notebook 13 Updated Nov 3, 2017
  • OCEAN - Optimized Cross rEActivity estimatioN

    JavaScript 2 4 Updated Oct 9, 2017
  • CheTo - Chemical Topic Modeling

    Python 5 4 BSD-3-Clause Updated Aug 10, 2017
  • Materials from the 2016 RDKit UGM

    Jupyter Notebook 15 15 Updated Jan 9, 2017
  • Lucene Chemical Index based on RDKit functionality.

    Java 5 2 Updated Aug 26, 2016
  • Materials from the 2015 RDKit UGM

    HTML 4 9 Updated Oct 15, 2015
  • Materials from the 2014 RDKit UGM

    JavaScript 3 9 Updated Apr 14, 2015
  • Python 5 9 Updated Nov 25, 2013
  • 8 8 Updated Oct 24, 2013