AI RESEARCH
UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules
arXiv CS.LG
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ArXi:2506.03157v4 Announce Type: replace-cross Molecular Dynamics (MD) simulations are essential for understanding the atomic-level behavior of molecular systems, giving insights into their transitions and interactions. However, classical MD techniques are limited by the trade-off between accuracy and efficiency, while recent deep learning-based improvements have mostly focused on single-domain molecules, lacking transferability to unfamiliar molecular systems.