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most citedA Perspective on Deep Learning for Molecular Modeling and Simulations

57 citations

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cond-mat.stat-mech2019★ 21 cited

Learning Clustered Representation for Complex Free Energy Landscapes

Jun Zhang, Yao-Kun Lei, Xing Che +3

In this paper we first analyzed the inductive bias underlying the data scattered across complex free energy landscapes (FEL), and exploited it to train deep neural networks which y…