← authors · overview

• OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
  2021 · 7 citations
• Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning
  2022 · 2 citations
• OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features
  2020
• Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states
  2020