Hi, I thought this may be of interest to people using RDKit. ChEMBL Group just released a python library called chembl_webresource_client. The library simplifies accessing chemical data using REST webservices, it has some advantages over using simple requests.py approach:
* Caching results locally in sqliteDB for faster access * Bulk data retrieval * Parallel asynchronous requests to API during bulk retrieval * Ability to use SMILES containing URL-unsafe characters in exactly same way as safe SMILES * Lots of syntactic sugar * Extensive configuration so you can toggle caching, asynchronous requests, change timeouts, point the client to your local web services instance and much more. More details can be found in this blog post: http://chembl.blogspot.co.uk/2014/05/a-python-client-for-accessing-chembl.html And one example of using it with RDKit: http://nbviewer.ipython.org/gist/mnowotka/c21e0d91f80f2c14dd47 -- Kind regards, Michał Nowotka ------------------------------------------------------------------------------ HPCC Systems Open Source Big Data Platform from LexisNexis Risk Solutions Find What Matters Most in Your Big Data with HPCC Systems Open Source. Fast. Scalable. Simple. Ideal for Dirty Data. Leverages Graph Analysis for Fast Processing & Easy Data Exploration http://p.sf.net/sfu/hpccsystems _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
