Pinned Repositories
neon-jin.github.io
EwaldMP
Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
pyQRC
Quick Reaction Coordinate using Python
Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
Quick Reaction Coordinate using Python