datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
multi-fidelity-training-mlff
Multi-Fidelity Training of Machine-Learned Force Fields — Dataset
Dataset accompanying the paper
Understanding Multi-Fidelity Training of Machine-Learned Force-Fields.
File Structure
data/
├── data.lmdb # LMDB database with atomic structures and labels
├── metadata.parquet # Lightweight metadata index
├── schema.json # Schema for the metadata
├── {method}_train_{a,b,c,d}.json # Train/validation/test split definitions… See the full description on the dataset page: https://huggingface.co/datasets/microsoft/multi-fidelity-training-mlff.Halide_Perovskite_Ion_Migration_MLFF_positive_iodide_interstitial
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF positive iodide interstitial. ColabFit, 2025. 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_oef7piahyylc_0
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/Halide_Perovskite_Ion_Migration_MLFF_positive_iodide_interstitial.Halide_Perovskite_Ion_Migration_MLFF_neutral_iodide_interstitial
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF neutral iodide interstitial. ColabFit, 2025. 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_11usai5qggq2_0
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/Halide_Perovskite_Ion_Migration_MLFF_neutral_iodide_interstitial.CeO2_Surface_Oxygen_Vacancy_MLFF
Cite this dataset Oshiro, K., Gao, M., and Hasegawa, J. CeO2 Surface Oxygen Vacancy MLFF. 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_puukty1cgl4q_0
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/CeO2_Surface_Oxygen_Vacancy_MLFF.Halide_Perovskite_Ion_Migration_MLFF_positive_iodide_vacancy
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF positive iodide vacancy. ColabFit, 2025. 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_5tjgk8acmeqe_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Halide_Perovskite_Ion_Migration_MLFF_positive_iodide_vacancy.Halide_Perovskite_Ion_Migration_MLFF_negative_iodide_interstitial
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF negative iodide interstitial. ColabFit, 2025. 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_jofg74jvsu0t_0
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/Halide_Perovskite_Ion_Migration_MLFF_negative_iodide_interstitial.Halide_Perovskite_Ion_Migration_MLFF_negative_iodide_vacancy
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF negative iodide vacancy. ColabFit, 2025. 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_7iys5iy3bz4z_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Halide_Perovskite_Ion_Migration_MLFF_negative_iodide_vacancy.Halide_Perovskite_Ion_Migration_MLFF_phase_transition
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF phase transition. ColabFit, 2025. 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_3qkh1wmrfjz8_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content and… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Halide_Perovskite_Ion_Migration_MLFF_phase_transition.Halide_Perovskite_Ion_Migration_MLFF_neutral_iodide_vacancy
Cite this dataset Tyagi, V., Pols, M., Brocks, G., and Tao, S. Halide Perovskite Ion Migration MLFF neutral iodide vacancy. ColabFit, 2025. 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_7q1jmfpf3q9g_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Halide_Perovskite_Ion_Migration_MLFF_neutral_iodide_vacancy.