← authors · overview

• Directional Message Passing for Molecular Graphs
  2020 · 353 citations
• Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules
  2020 · 165 citations
• GemNet: Universal Directional Graph Neural Networks for Molecules
  2021 · 128 citations
• 3D Infomax improves GNNs for Molecular Property Prediction
  2021 · 85 citations
• GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets
  2022 · 55 citations
• Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
  2023 · 54 citations
• Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution
  2022 · 43 citations
• Directional Message Passing on Molecular Graphs via Synthetic Coordinates
  2021 · 12 citations
• Ewald-based Long-Range Message Passing for Molecular Graphs
  2023 · 6 citations
• Energy-Weighted Flow Matching: Unlocking Continuous Normalizing Flows for Efficient and Scalable Boltzmann Sampling