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Updated: Jul 7, 2025

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学习的映射用于针对性自由能量扰动之间的形状之间的形状

Soohaeng Yoo Willow1, Lulu Kang2, David D L Minh3

  • 1Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616, USA.

The Journal of chemical physics
|December 21, 2023
PubMed
概括

机器学习通过训练神经网络来映射热力学状态之间来增强自由能量计算. 这种方法准确地估计了dca-alanine.

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