Code
rdkit
A collection of cheminformatics and machine-learning software written in C++ and Python.
News
- 2 November 2013 The Q3 2013 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.
Project Information
- License: New BSD License
- Content License: Creative Commons 3.0 BY-SA
- 31 stars
- svn-based source control
Labels:
Python
CPlusPlus
Cheminformatics
Chemistry
Java
CSharp