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Dataset · Hugging Face

gschottlender/LigQ_2_benchmark

Ligand-Based Target Benchmark Splits This dataset contains target-level ligand benchmark splits generated from the same pipeline used for the enrichment-factor evaluations. Each target has one folder per random_state. Inside each split: known_actives.csv: active ligands available to the search method. These are the query/reference ligands. evaluation_actives.csv: held-out active ligands for the same target. These are the positives to recover during evaluation.… See the full description on the dataset page: https://huggingface.co/datasets/gschottlender/LigQ_2_benchmark.

Author / organizationgschottlender
License (as declared)other
Downloads770 (as reported by Hugging Face)
Likes0
Created19 June 2026
Last updated at source19 June 2026
cheminformaticsvirtual-screeningligand-based-screeningmolecular-similaritydrug-discoverybenchmark
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