liuganghuggingface/moldata-zinc250k

ZINC250k About 250,000 drug-like molecules sampled from ZINC with computed logP, QED, and SA score, released with the chemical variational autoencoder. Processed copy of zinc250k 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/the-matter-lab/chemical_vae Original study: Gómez-Bombarelli et… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-zinc250k.

<iframe src="https://silytics.si/embed/item/38c64612-cda4-47ea-a065-db555cac121c" width="420" height="190" style="border:0" loading="lazy" title="Silytics entry"></iframe>

Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 21 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.