Latent space active learning with message passing neural network: the case of HfO_{2}

A dataset containing the structures obatined from the active learning process and their calculated energies and forces. See more details in our papr "Latent space active learning with message passing neural network: the case of HfO_{2}".

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creator Ouyang, Xinjian
description A dataset containing the structures obatined from the active learning process and their calculated energies and forces. See more details in our papr "Latent space active learning with message passing neural network: the case of HfO_{2}".
doi_str_mv 10.5281/zenodo.13729579
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title Latent space active learning with message passing neural network: the case of HfO_{2}
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