liuganghuggingface/moldata-vipea

VIPEA polymer ensemble electronic properties Aldeghi and Coley polymer ensemble electronic-property data, preserving copolymer architecture and monomer components. Processed copy of vipea 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/coleygroup/polymer-chemprop-data Original study: A graph… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-vipea.

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