一个工具包，化学信息学与机器学习。

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: * 请点击左侧文件开始预览 ！预览只提供20%的代码片段，完整代码需下载后查看 加载中 侵权举报

org.RDKit.jar
org.RDKitDoc.jar
boost_system-vc100-mt-1_51.dll
GraphMolWrap.dll