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ConSolv: Solvent-Conditional Machine Learning Implicit Solvent Potential

Zhang, Linying et al.
arXiv (All) · Papers
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chemical-physicsmachine-learning
Implicit solvent machine learning potentials (MLPs) offer a powerful route to bridging the gap between accuracy and efficiency in molecular simulations. However, existing models have largely focused on aqueous environments, overlooking the diverse and important roles of non-aqueous solvents in areas
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