most citedThe Rise of Generative AI for Metal-Organic Framework Design and Synthesis

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physics.chem-ph2024★ 4 cited

Molecular Dynamics and Machine Learning Unlock Possibilities in Beauty Design -- A Perspective

Yuzhi Xu, Haowei Ni, Qinhui Gao +10

Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to c…