A collection of cheminformatics and machine-learning software written in C++ and Python.

News

• 18 October 2009 The Q3 2009 release is available on the google code and sourceforge download pages. Here are the release notes.

Information

Here's a FeatureOverview.

Some help GettingStarted.

At the moment the best information source is the project home page at www.rdkit.org, there you will find:

• A broad feature overview
• Python API documentation:
• Browseable
• Downloadable
• C++ API documentation:
• Browseable
• Downloadable

Questions?

Please send them to the discuss mailing list (you'll need to subscribe first).

The content on these pages is licensed under the Creative Commons Share Alike (BY-SA) license.