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Data for: Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials

<p>This is the dataset for the article "Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials" by Juno Nam and Rafael Gomez-Bombarelli.</p> <ul> <li>Preprint:&nbsp;<a href="https://arxiv.org/abs/2404.10746">https://arxiv.org/abs/2404.10746</a></li> <li>Code: <a href="https://github.com/learningmatter-mit/alchemical-mlip">https://github.com/learningmatter-mit/alchemical-mlip</a></li> </ul>

ShareScore

32/100

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
8
Engagement
0

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