datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
MatPES-R2SCAN-2025.2
Cite this dataset Kaplan, A. D., Liu, R., Qi, J., Ko, T. W., Deng, B., Riebesell, J., Ceder, G., Persson, K. A., and Ong, S. P. MatPES-R2SCAN-2025.2. ColabFit, 2026. https://doi.org/None
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_q1zgft23gdbl_1
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/MatPES-R2SCAN-2025.2.Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Train
Cite this dataset Malosso, C., Bigi, F., Pegolo, P., Abbott, J. W., Loche, P., Rossi, M., Ceriotti, M., and Mazitov, A. Massive Atomic Diversity MAD-1.5 r2SCAN Train. ColabFit, 2026. https://doi.org/None
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_okaut8m5c2vk_0
Visit the ColabFit Exchange to search additional datasets by author… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Train.Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Val
Cite this dataset Malosso, C., Bigi, F., Pegolo, P., Abbott, J. W., Loche, P., Rossi, M., Ceriotti, M., and Mazitov, A. Massive Atomic Diversity MAD-1.5 r2SCAN Val. ColabFit, 2026. https://doi.org/None
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_lzf5dc7nytxe_0
Visit the ColabFit Exchange to search additional datasets by author… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Val.Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Test
Cite this dataset Malosso, C., Bigi, F., Pegolo, P., Abbott, J. W., Loche, P., Rossi, M., Ceriotti, M., and Mazitov, A. Massive Atomic Diversity MAD-1.5 r2SCAN Test. ColabFit, 2026. https://doi.org/None
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_7q71mf99le0c_0
Visit the ColabFit Exchange to search additional datasets by author… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Massive_Atomic_Diversity_MAD-1.5_r2SCAN_Test.