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对分子模拟的概率生成框架进行比较

Richard John1, Lukas Herron2,3, Pratyush Tiwary3,4

  • 1Department of Physics and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA.

The Journal of chemical physics
|March 21, 2025
PubMed
概括

用于分子科学的生成性AI模型显示了多样化的性能. 神经线流在低维数据中表现出色,在高维数据中条件流匹配,在复杂的低维数据中否定扩散概率模型.

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