A Multi-Grained Symmetric Differential Equation Model for
Learning Protein-Ligand Binding Dynamics
In Submission

  • 1UC Berkeley
  • 2Caltech
  • 3University of Chinese Academy of Sciences
  • 4University of Toronto
  • 5National Research Council Canada

  • Equal contribution

  • Equal advising

Case Studies: predicted binding trajectory for 4G3E

Qualitative Results on Trajectory Prediction

More details will be added.