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joshrosie/crystalite-datasets

Crystalite Datasets Training and evaluation data for crystal structure generation. Datasets alex_mp20 — Alexandria MP20 subset (nmax=20) mpts_52 — MP structures up to 52 atoms (nmax=52) mp20 — MP20 split CSVs (note: can also be auto-downloaded from chaitjo/MP20_ADiT) Usage Point --data_root and --dataset_name at the relevant directory after downloading. Checkpoint We have included a DNG checkpoint from our best performing… See the full description on the dataset page: https://huggingface.co/datasets/joshrosie/crystalite-datasets.

Author / organizationjoshrosie
License (as declared)mit
Downloads144 (as reported by Hugging Face)
Likes0
Created29 March 2026
Last updated at source25 June 2026
crystal-structurematerials-sciencegenerative-models
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