Aniketh Iyengar, Jiaqi Han, Pengwei Sun, Mingjian Jiang, Jianwen Xie, Stefano Ermon

Align Your Structures: Generating Trajectories with Structure Pretraining for Molecular Dynamics

arXiv:2604.03911v1 Announce Type: new Abstract: Generating molecular dynamics (MD) trajectories using deep generative models has attracted increasing attention, yet remains inherently challenging due to the …