Dataset · Hugging Face

project-14/gpsk-inorganic-crystals

Name: gpsk-inorganic-crystals
Creator: project-14
License: cc-by-4.0
Keywords: task_categories:other, language:en, license:cc-by-4.0, size_categories:1M<n<10M, format:parquet, modality:tabular, modality:text, library:datasets, library:dask, library:polars, library:mlcroissant, region:us, chemistry, materials-science, crystals

GPSK-Inorganic-Crystals A flat, joint-balanced corpus of 2,000,115 inorganic crystal structures with conditioning metadata (space group, crystal system, magnetic ordering, formation energy, band gap), drawn from public DFT and experimental databases and curated to remove the heavy class skew of the raw merge. At a glance Rows 2,000,115 Format Apache Parquet, 41 chunks × 50,000 rows Schema 21 columns (full CIF + metadata) Size on disk 1.1 GB… See the full description on the dataset page: https://huggingface.co/datasets/project-14/gpsk-inorganic-crystals.

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Author / organization	project-14
License (as declared)	cc-by-4.0
Downloads	312 (as reported by Hugging Face)
Likes	0
Created	13 May 2026
Last updated at source	13 May 2026

chemistrymaterials-sciencecrystalscrystal-structureinorganicDFTmagnetismtabularsciencegenerative

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