遇见数据集

LigBind v1.0.0 structures

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Zenodo2025-11-23 更新2026-05-26 收录
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Complete set of protein structures used for LigBind training/evaluation. in Dayhoff, Guy W., et al. "Illuminating the Druggable Proteome with an AI Protein Profiling Platform." (2025) (doi: https://doi.org/10.1101/2025.09.07.670677). Pickpocketed pdbs are derived from BioLip2 database using an inhouse tool (pickpocket). Triaged pdbs are the production PDBs which have been corrected p.r.n. by the pdbdr tool (https://github.com/wayyne/pdb_doctor)

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2025-09-26
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