Mila - Québec AI Institute, Université de Montréal; Mila - Québec AI Institute, HEC Montréal, CIFAR AI Chair; National Research Council Canada, University of Ottawa
Shengchao Liu, Hongyu Guo, Jian Tang
molecule;pretraining;representation;geometry;denoising score matching
Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching