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Data related to the publication "structure and transport properties of LiTFSI-based deep eutectic electrolytes from machine-learned interatomic potential simulations"

<p>Reference training and test datasets, trained ML potential models, and input scripts for the training (Allegro) and MD simulations (LAMMPS).</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

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

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
0
Engagement
4

Topics