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• Transition1x -- a Dataset for Building Generalizable Reactive Machine Learning Potentials
  2022 · 109 citations
• Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces
  2023 · 12 citations
• Coherent energy and force uncertainty in deep learning force fields
  2023 · 8 citations
• Calibrated Uncertainty for Molecular Property Prediction using Ensembles of Message Passing Neural Networks
  2021 · 1 citations