The results of the Teach-Discover-Treat (TDT) 2014 challenge were out earlier this week. TDT is an initiative to provide high quality computational chemistry tutorials that impact education and drug discovery for neglected diseases with a special focus on freely available software tools and reproducibility.
We are very happy to announce that Rodrigo Ochoa, former summer intern in the group two years ago, won the second place (KNIME award) at the TDT challenge.
Rodrigo’s entry was based on myChEMBL (Open Innovation track) and contains several KNIME and IPython Notebook tutorials within an NTD computational research setting.
More details here.
PS: Watch this space for an update on myChEMBL very soon.