/rdkit-tensorflow-examples

A philistine-level simple example of Morgan fingerprint convoluted DNN on a DUDE target, the ACE protein

Primary LanguagePython

This is work in progress on using Rdkit together with Tensorflow, doing some basic benchmarking on DUDE dataset.

I'm a complete philistine in the land of machine learning, full disclosure, this is probably wrong (but it does RUN).