DeepReweighting: Reparameterizing Force Field under Explainable Deep Learning Framework
Junjie Zhu, Zhengxin Li, Junxi Mu, Bozitao Zhong, Haifeng Chern
This paper introduces DeepReweighting, a deep learning framework for optimizing molecular force fields with improved efficiency and accuracy compared to traditional methods.
bioRxiv · Aug 7, 2024 · PreprintBioinformatics