Uncertainty Driven Dynamics for Active Learning of Interatomic Potentials. Glycine and Acetylacetone Data.
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Data generated and analyzed in <strong>M.Kulichenko <em>et. al</em>. Uncertainty Driven Dynamics for Active Learning of Interatomic Potentials. <em>Nat. Comput. Sci </em>(2023).</strong> Glycine data sets (MD-AL and UDD-AL). Acetylacetone MD and UDD trajectories. See README.md for details.
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Zenodo创建时间：
2023-01-11
