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Cite this dataset Chmiela, S., Sauceda, H. E., Müller, K., and Tkatchenko, A. sGDML Benzene ccsdt NC2018 test. ColabFit, 2023. https://doi.org/10.60732/81df086b
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 content and more.… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/sGDML_Benzene_ccsdt_NC2018_test.