Stars
This is the code corresponding to the FWSR method described in the paper "Greedy Frank-Wolfe Algorithm for Exemplar Selection".
Efficient Learning of Augmentation Policy Schedules
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
A PyTorch implementation of the Transformer model in "Attention is All You Need".
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures