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physics.chem-ph2025★ 100 cited
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng +44
In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for m…
physics.chem-ph2023
DeePMD-kit v2: A software package for Deep Potential models
Jinzhe Zeng, Duo Zhang, Denghui Lu +44
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. T…