Low Data Drug Discovery with One-shot Learning. - Han Altae-Tran; Bharath Ramsundar; Aneesh S. Pappu; Vijay S. Pande (CoRR, 2016)

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)