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

Retrosynthetic reaction prediction using neural sequence-to-sequence models. - Bowen Liu 014; Bharath Ramsundar; Prasad Kawthekar; Jade Shi; Joseph Gomes; Quang Luu Nguyen; Stephen Ho; Jack Sloane; Paul Wender; 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)

Deep Learning the Physics of Transport Phenomena. - Amir Barati Farimani; Joseph Gomes; Vijay S. Pande (CoRR, 2017)

Deep Learning Phase Segregation. - Amir Barati Farimani; Joseph Gomes; Rishi Sharma 005; Franklin L. Lee; Vijay S. Pande (CoRR, 2018)

Pre-training Graph Neural Networks. - Weihua Hu; Bowen Liu 014; Joseph Gomes; Marinka Zitnik; Percy Liang; Vijay S. Pande; Jure Leskovec (CoRR, 2019)

Strategies for Pre-training Graph Neural Networks. - Weihua Hu; Bowen Liu 014; Joseph Gomes; Marinka Zitnik; Percy Liang; Vijay S. Pande; Jure Leskovec (ICLR, 2020)

Evaluating and Validating Cluster Results. - Anupriya Vysala; Joseph Gomes (CoRR, 2020)

Leveraging Deep Learning as a New Approach to Layer Detection and Cloud-Aerosol Classification Using ICESat-2 Atmospheric Data. - Bolaji Oladipo; Joseph Gomes; Matthew J. McGill; Patrick Selmer (Remote. Sens., 2024)

Efficient Transition State Searches by Freezing String Method with Graph Neural Network Potentials. - Jonah Marks; Joseph Gomes (CoRR, 2025)