Xiang

MDsim. [TMLR 2023] Training and simulating MD with ML force fields

mlcgmd. [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks

scdp. [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"

tia. [ICML 2021] Learning Task Informed Abstractions -- a representation learning approach for model-based RL in complex visual domains