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UniSim: A ...
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Image Credit: Arxiv

UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules

  • UniSim is a new Unified Simulator designed for Time-Coarsened Dynamics of Biomolecules.
  • It leverages cross-domain knowledge to enhance the understanding of atomic interactions.
  • UniSim employs a multi-head pretraining approach and a force guidance module for rapidly adapting to different chemical environments.
  • Experiments show that UniSim performs well across small molecules, peptides, and proteins.

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