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资源简介：
This dataset contains protein target structures, active and decoy molecule (ChEMBL compound ID), and activity labels used in the paper "MotifScreen: Revolutionizing virtual screening and its generalizability via deep learning of interaction patterns". This dataset is for benchmark purposes. It includes PDB receptor files, actives.csv and decoys_per_active.csv.
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Zenodo创建时间：
2025-08-25
