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liuganghuggingface/moldata-polybench26_md

PolyBench26 / OMersBench curated MD source PolyBench26 curated 82,990-record MD source with Cp, Cv, Rg, density and refractive index; architecture metadata is preserved. Processed copy of polybench26_md 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/rlearsch/PolymerBenchmark2026 Original… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-polybench26_md.

Author / organizationliuganghuggingface
License (as declared)cc-by-4.0
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Created21 October 2026
Last updated at source21 October 2026
chemistrymoleculespolymersmulti-property2026alternating-copolymerbenchmarkhomopolymerllnlmdrandom-copolymer
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