Uncertainty Driven Dynamics for Active Learning of Interatomic Potentials. Glycine and Acetylacetone Data.
Kulichenko, Maksim
Description
Data generated and analyzed in M.Kulichenko et. al. Uncertainty Driven Dynamics for Active Learning of Interatomic Potentials. Nat. Comput. Sci (2023). Glycine data sets (MD-AL and UDD-AL). Acetylacetone MD and UDD trajectories. See README.md for details.
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Metrics Over Time
Publication Details
DOI
Publisher
Zenodo
Subfield
Spectroscopy
Field
Chemistry
Domain
Physical Sciences
Confidence Score
95%
Source
Open Alex