Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity. - Joseph Gomes; Bharath Ramsundar; Evan N. Feinberg; Vijay S. Pande (CoRR, 2017)

MoleculeNet: A Benchmark for Molecular Machine Learning. - Zhenqin Wu; Bharath Ramsundar; Evan N. Feinberg; Joseph Gomes; Caleb Geniesse; Aneesh S. Pappu; Karl Leswing; Vijay S. Pande (CoRR, 2017)

Spatial Graph Convolutions for Drug Discovery. - Evan N. Feinberg; Debnil Sur; Brooke E. Husic; Doris Mai; Yang Li 042; Jianyi Yang; Bharath Ramsundar; Vijay S. Pande (CoRR, 2018)

Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization. - Evan N. Feinberg; Robert P. Sheridan; Elizabeth Joshi; Vijay S. Pande; Alan C. Cheng (CoRR, 2019)