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Uncertainty Driven Dynamics for Active Learning of Interatomic Potentials. Glycine and Acetylacetone Data.

<p>Data generated and analyzed in <strong>M.Kulichenko <em>et. al</em>. Uncertainty Driven Dynamics for Active Learning of&nbsp; Interatomic Potentials. <em>Nat. Comput. Sci </em>(2023).</strong></p> <ul> <li>Glycine data sets (MD-AL and UDD-AL).</li> <li>Acetylacetone MD and UDD trajectories.</li> <li>See README.md for details.</li> </ul> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p>

ShareScore

24/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
0
Engagement
0

Dataset details

Repository
zenodo
Published
January 10, 2023
License
cc-by-4.0
DOI
10.5281/zenodo.7526388
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