Download of RDKit_2016_03_1.win64.py27.zip (RDKit_2016_03_1.win64.py27.zip ( external link: SF.net): 28,063,376 bytes) will begin shortly. If not so, click link on the left.
A collection of cheminformatics and machine-learning software written in C++ and Python.
The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java.
Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.
