datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
2D-Kolmogorov-Flow-Multifidelity-Datasetmultifidelity-dft-deltas
Multi-fidelity DFT delta corrections for crystal structures
Dataset Description
This dataset contains ~60,000 crystal structure relaxations from the
NOMAD repository, computed with the all-electron DFT
code FHI-aims at multiple levels of numerical precision
(basis set size × k-point density). For each pair of a low-fidelity and a
high-fidelity calculation on the same structure, we provide the delta
corrections — the difference in key physical observables between… See the full description on the dataset page: https://huggingface.co/datasets/dtsdts/multifidelity-dft-deltas.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.MultiFidelity_Nozzle_JetFlows