Experiment with different classifier models

[ikmckenz]

On the data set with ChEMBL 25, with the current (53ec926) data cleaning/grouping. With 10 trees on the sklearn random forest we get 77% on top-1 precision, recall, and F1 score, and 89-92% top-5 accuracy.

[ikmckenz]

In 833ece7 I added a Jupyter notebook that implements a very basic neural network classifier model. It gets 79% on top-1 accuracy, and 97% top-5 accuracy.