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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.
Please note that the development of RDKit has been moved to github.
If you have questions please join the RDKit-discuss mailing list and ask there or use the github issue tracker. Questions left here or sent to the admin's sourceforge address cannot be answered.