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Dataset · Hugging Face

woongworks/aqsoldb-ml-ready-preview

AqSolDB ML-Ready — 200-row preview Updates: @woongworks on X This is a 200-row preview. The full pack has all 8,730 cleaned compounds, ready-made random/scaffold/5-fold splits, baseline results and a rebuild script — pay what you want (suggested $7, $0+): get it on Gumroad. 200 evenly spaced rows (every 43rd row) of a cleaned, ML-ready version of AqSolDB (aqueous solubility, logS = log10 mol/L). Same columns as the full 8,730-compound table, including ready-made split labels.… See the full description on the dataset page: https://huggingface.co/datasets/woongworks/aqsoldb-ml-ready-preview.

Author / organizationwoongworks
License (as declared)cc-by-4.0
Downloads190 (as reported by Hugging Face)
Likes0
Created9 October 2026
Last updated at source6 November 2026
chemistrycheminformaticssolubilityaqsoldbrdkitmolecular-property-predictionsmiles
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  • 06 Nov 2026 Description: AqSolDB ML-Ready — 200-row preview Updates: @woongworks on X This is a 200-row preview. The full pack ($7) has all 8,730 cleaned compounds, ready-made random/scaffold/5-fold splits, baseline results and a rebuild script: get it on Gumroad. → AqSolDB ML-Ready — 200-row preview Updates: @woongworks on X This is a 200-row preview. The full pack has all 8,730 cleaned compounds, ready-made random/scaffold/5-fold splits, baseline results and a rebuild script — pay what you want (sugg

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