3.8k citations · 6.1k across the 26 of their papers we have counts for
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Neural Message Passing for Quantum Chemistry
Justin Gilmer, Samuel S. Schoenholz, Patrick F. Riley +2
Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural ne…
Detecting Cancer Metastases on Gigapixel Pathology Images
Yun Liu, Krishna Gadepalli, Mohammad Norouzi +10
Each year, the treatment decisions for more than 230,000 breast cancer patients in the U.S. hinge on whether the cancer has metastasized away from the breast. Metastasis detection…
Machine learning prediction errors better than DFT accuracy
Felix A. Faber, Luke Hutchison, Bing Huang +7
We investigate the impact of choosing regressors and molecular representations for the construction of fast machine learning (ML) models of thirteen electronic ground-state propert…