liuganghuggingface/moldata-welqrate_aid1843
WelQrate AID1843 curated virtual screening WelQrate virtual-screening benchmark for PubChem assay AID 1843. Includes curated activity labels, molecular structures, original 2D/3D files, and five random and scaffold fold assignments. Part of the Molecular Datasets collection. Get started from datasets import load_dataset dataset = load_dataset("liuganghuggingface/moldata-welqrate_aid1843", "000_data") Where the data comes from Original data:… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-welqrate_aid1843.
| Author / organization | liuganghuggingface |
|---|---|
| License (as declared) | other |
| Downloads | 189 (as reported by Hugging Face) |
| Likes | 0 |
| Created | 22 October 2026 |
| Last updated at source | 30 October 2026 |
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- 31 Oct 2026 Description: WelQrate AID1843 curated virtual screening Expert-curated screening labels using confirmatory/counter screens and domain-specific processing; original 2D/3D data and five random/scaffold folds. Processed copy of welqrate_aid1843 from the mo → WelQrate AID1843 curated virtual screening WelQrate virtual-screening benchmark for PubChem assay AID 1843. Includes curated activity labels, molecular structures, original 2D/3D files, and five random and scaffold fold assignments. Part of
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