Dear Paul, On Wed, May 11, 2011 at 6:15 PM, <paul.czodrow...@merck.de> wrote: > >> - Write todos, tutorials, or sample scripts > > I would jump here, even though I'm quite new to RDKit. > Since I'm especially interested in the ML capabilities, I would be willing > to expand the ML tutorial you started. > e.g. I could provide a literature data set for solubility - huah, not very > exciting, but I would see this as a test case. > > Then, one could add the prediction to a test set and extract the most > similar compounds.
This sounds great! If you'd like write access to the wiki so that you can work on the tutorial there, please let me know and I'll set it up. Best Regards, -greg ------------------------------------------------------------------------------ Achieve unprecedented app performance and reliability What every C/C++ and Fortran developer should know. Learn how Intel has extended the reach of its next-generation tools to help boost performance applications - inlcuding clusters. http://p.sf.net/sfu/intel-dev2devmay _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
