Gomes, Joseph

MoleculeNet: a benchmark for molecular machine learning

Wu, Z., Ramsundar, B., Feinberg, E. N., Gomes, J., Geniesse, C., Pappu, A. S., Leswing, K., & Pande, V. (2018) · Chemical Science

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 3,107

Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models

Liu, B., Ramsundar, B., Kawthekar, P., Shi, J., Gomes, J., Luu Nguyen, Q., Ho, S., Sloane, J., Wender, P., & Pande, V. (2017) · ACS Central Science

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 536

Atomic convolutional networks for predicting protein-ligand binding affinity

Gomes, J., Ramsundar, B., Feinberg, E. N., & Pande, V. S. (2017) · arXiv

Computational Drug Discovery MethodsMachine Learning in Bioinformatics

Cited by 150