Pages

Friday, July 01, 2011

Running 2.6 GB of ChEMBL data through the CDK Atom typer with CDK-Taverna

Cdktavchembl

CDK-Taverna 2.0 with Taverna 2.0 can in fact do this. Major technological improvement! Also, you get visual feedback on how far it has progressed. It still is rather unpolished, but I am happy to see progress!

Posted via email from Egon's posterous