Hi Igor, On Mon, May 2, 2011 at 9:52 PM, Igor Filippov <[email protected]> wrote: > > Yes, actually for this project I'm interested in Python specifically! > Time to learn me some new tricks :)
Sad... I was kind of hoping to get the response: "oh? only in python? never mind!" because then I wouldn't have to write the docs. ;-) > I was looking through the docs online but I cannot figure it out :( Yeah... that's the problem. The existing ML code is actually pretty easy to use (at least it used to be... I haven't used it this way in a while) if you have a database structured exactly the way it expects. When this is true, there are a couple of command line tools that automate everything. However, I don't expect people are actually going to be interested in doing this. So there ought to be at least some docs. I will start a series of howto examples on the wiki and label them with "ML": http://code.google.com/p/rdkit/w/list?q=label:ML the first is here: http://code.google.com/p/rdkit/wiki/BuildingModelsUsingFingerprints1 I'm going to focus on tree predictors (i.e. bags of decision trees and random forests), because that's the area where the RDKit is the strongest. If you're interested in more flexibility in terms of type of model, it's probably best to use the RDKit in combination with R (via rpy2, I haven't done this), or knime. -greg ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
