AI RESEARCH
Align Your Structures: Generating Trajectories with Structure Pretraining for Molecular Dynamics
arXiv CS.LG
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ArXi:2604.03911v1 Announce Type: new Generating molecular dynamics (MD) trajectories using deep generative models has attracted increasing attention, yet remains inherently challenging due to the limited availability of MD data and the complexities involved in modeling high-dimensional MD distributions. To overcome these challenges, we propose a novel framework that leverages structure pre