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liuganghuggingface/moldata-radonpy_pi1070

RadonPy PI1070 Original RadonPy public table for amorphous polymers with simulation and calculation metadata. Processed copy of radonpy_pi1070 from the molecular datasets collection. Structures are canonicalized and validated; labels are never averaged or filled. Prefer the original source for citation. Where the data comes from Original data: https://github.com/RadonPy/RadonPy Original study: RadonPy: Automated Physical Property Calculation Using All-Atom… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-radonpy_pi1070.

Author / organizationliuganghuggingface
License (as declared)bsd-3-clause
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Created21 October 2026
Last updated at source21 October 2026
chemistrymoleculespolymersmulti-propertyamorphousclassical-force-fieldhomopolymermdsimulation
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