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Cite this dataset Kovács, D. P., Oord, C., Kucera, J., Allen, A. E. A., Cole, D. J., Ortner, C., and Csányi, G. 3BPA train mixed. ColabFit, 2023. https://doi.org/10.60732/1dbc6d0a
This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange: Visit the ColabFit Exchange to search additional datasets by author, description, element… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/3BPA_train_mixed.