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liuganghuggingface/moldata-chemixhub_miscible_solvent

CheMixHub miscible-solvent CheMixHub data for simulated density, mixing, and vaporization properties of solvent mixtures, with component molecular structures, mixture composition, source conditions, and property labels. Each label describes the complete mixture. Part of the Molecular Datasets collection. Get started from datasets import load_dataset dataset = load_dataset("liuganghuggingface/moldata-chemixhub_miscible_solvent", "default") Where the… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-chemixhub_miscible_solvent.

Author / organizationliuganghuggingface
License (as declared)cc-by-nc-4.0
Downloads1.1K (as reported by Hugging Face)
Likes0
Created21 October 2026
Last updated at source30 October 2026
chemistrymoleculessmall-moleculesmixturescompositionmdmixturemolecular-dynamicsneurips-2025simulatedtemperature
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  • 04 Nov 2026 Description: CheMixHub miscible-solvent CheMixHub source-preserving mixture property table with compound dictionary expanded to component SMILES. Processed copy of chemixhub_miscible_solvent from the molecular datasets collection. Structures are canonic → CheMixHub miscible-solvent CheMixHub data for simulated density, mixing, and vaporization properties of solvent mixtures, with component molecular structures, mixture composition, source conditions, and property labels. Each label describes

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