Dear all, I recently spent some time working around the idea of an RDKit-based chemical extension for SQLite. The project is still in an early stage and some features are missing, but I think it has now reached a stage in development where experimenting with it could actually start to be interesting. As you may guess, the idea is similar in concept to the existing postgresql cartridge, but targeting a quite different database system, so I'm hoping it may provide distinct trade-offs and support complementary use cases.
Some documentation is available online (https://chemicalite.readthedocs.org/en/latest/) and code is on github (https://github.com/rvianello/chemicalite). The current revision was tagged 2013.03.2 and it should play well with the current RDKit release (only tested on linux though). If you use SQLite, and sometimes wished it could also understand some chemistry, then I hope you will find this project interesting and I would really love to hear from you. Best regards, Riccardo ------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. This 200-page book is written by three acclaimed leaders in the field. The early access version is available now. Download your free book today! http://p.sf.net/sfu/neotech_d2d_may _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
