colabfit/xxMD-DFT_train

Cite this dataset Pengmei, Z., Shu, Y., and Liu, J. xxMD-DFT train. ColabFit, 2023. https://doi.org/10.60732/8e7f6d7c This dataset has been curated and formatted for the ColabFit Exchange This dataset is also available on the ColabFit Exchange: https://materials.colabfit.org/id/DS_fblez5twbr07_0 Visit the ColabFit Exchange to search additional datasets by author, description, element content and more. https://materials.colabfit.org… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/xxMD-DFT_train.