Synthetic data enable experiments in atomistic machine learning

A synthetic dataset of atomic energies for different categories of carbon environments, generated using an existing ML potential model.

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Cite this as

John L. A. Gardner, Zo´e Faure Beaulieu, Volker L. Deringer (2025). Dataset: Synthetic data enable experiments in atomistic machine learning. https://doi.org/10.57702/bc73skc4

DOI retrieved: January 2, 2025

Additional Info

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Created January 2, 2025
Last update January 2, 2025
Defined In https://doi.org/10.48550/arXiv.2211.16443
Author John L. A. Gardner
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Zo´e Faure Beaulieu
Volker L. Deringer
Homepage https://github.com/jla-gardner/carbon-data