Molecular Dataset Hub launches with 248 traced, quality-graded datasets
CatAstro_Piyush · x · 2026-11-05
DSAIL released the Molecular Dataset Hub: 248 small-molecule and polymer ML datasets covering 10M+ molecules and 10K+ properties, each traced to its original study, data host, and every redistributing benchmark, with quality grades and license filters.
The companion torch-molecule library adds direct dataset loading (loaddataset, Hugging Face integration) plus newer generative and representation learning models. The site supports browsing by property, modality, and cross-dataset molecule redundancy stats.
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