RDKit: Open-Source Cheminformatics Software

Useful Links

• GitHub page
  • Frequently Asked Questions (FAQ)
  • Git source code repository
  • The bug tracker
  • Q&A, Discussion
• Sourceforge page
  • The mailing lists
  • Searchable archive of rdkit-discuss
  • Searchable archive of rdkit-devel
• RDKit at LinkedIn
• The RDKit Blog
• Online Documentation
  • Python API
  • C++ API
  • Downloadable version of the full HTML documentation
  • Japanese translation of the documentation
  • Materials from the 2012 UGM
  • Materials from the 2013 UGM
  • Materials from the 2014 UGM
  • Materials from the 2015 UGM
  • Materials from the 2016 UGM
  • Materials from the 2017 UGM
  • Materials from the 2018 UGM
  • Materials from the 2019 UGM
  • Materials from the 2020 UGM
  • Materials from the 2021 UGM
  • Materials from the 2022 UGM
• Other Stuff
• Conda binary packages for the RDKit
• RDKit Knime nodes
• recipes for building using the excellent conda package manager Contributed by Riccardo Vianello.
• homebrew formula for building on the Mac Contributed by Eddie Cao.