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