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

News

• 8 October 2011 The Q3 2011 release is available on the google code and sourceforge download pages. Here are the release notes.

• 11 July 2011 The Q2 2011 release is available on the google code and sourceforge download pages. Here are the release notes.

Information

Here's a FeatureOverview.

Some help GettingStarted.

Interested in GettingInvolved?

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
• C++ API documentation:
• Browseable

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.