对于PIPs没有头痛:阿司匹林的PIP潜力运行得比其他机器学习潜力快得多,并且精确度相似

Paul L Houston1,2, Chen Qu3, Qi Yu4

  • 1Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States.

概括

顺序不变多项式 (PIP) 方法为机器学习潜力提供了高精度和特殊的速度,优于其他分子模拟方法. 这项研究证实了PIP的存在.

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