Dataset · Hugging Face

liuganghuggingface/moldata-pi1m

Name: moldata-pi1m
Creator: liuganghuggingface
License: mit
Keywords: task_categories:tabular-regression, license:mit, size_categories:100K<n<1M, format:parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, region:us, chemistry, molecules, polymers, structure-libraries

PI1M v2 Approximately one million generated polymer repeat units, with heuristic synthetic accessibility scores in v2; no experimental property labels. Processed copy of pi1m 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/RUIMINMA1996/PI1M Original study: PI1M: A Benchmark Database for… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-pi1m.

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Author / organization	liuganghuggingface
License (as declared)	mit
Downloads	0 (as reported by Hugging Face)
Likes	0
Created	21 October 2026
Last updated at source	21 October 2026

chemistrymoleculespolymersstructure-librariescomputed-heuristicgenerative-modelhomopolymerhypotheticalpsmilesstructure-only

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