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• OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
  2023 · 469 citations
• Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity
  2017 · 98 citations
• MoleculeNet: A Benchmark for Molecular Machine Learning
  2017 · 50 citations
• Deep Neural Network Computes Electron Densities and Energies of a Large Set of Organic Molecules Faster than Density Functional Theory (DFT)
  2018 · 37 citations
• Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization
  2019 · 15 citations
• Folding@home: achievements from over twenty years of citizen science herald the exascale era
  2023 · 4 citations
• Physical machine learning outperforms "human learning" in Quantum Chemistry
  2019 · 3 citations
• Learning Protein Dynamics with Metastable Switching Systems
  2016