ANI/EFP: ANI .

Shahed Haghiri1, Claudia Viquez Rojas1, Sriram Bhat2

  • 1Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907-2084, United States.

概括

这项研究通过将原子静电潜能纳入ANI神经网络来增强深度学习分子建模. 新的ANI/EFP模型准确地预测了分子系统的远程相互作用.

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