PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
收藏DataCite Commons2025-06-01 更新2024-08-19 收录
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https://figshare.com/articles/dataset/PLAS-20k_Extended_Dataset_of_Protein-Ligand_Affinities_from_MD_Simulations_for_Machine_Learning_Applications/23675040/1
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资源简介：
The creation of the PLAS-20K dataset was primarily motivated by the need for high-quality datasets that can support the development of advanced algorithms and drive significant advancements in drug development. The PLAS-20K dataset comprises a diverse collection of protein-ligand (PL) complexes, comprising 19500 protein-ligand complexes, and their corresponding binding affinities, derived from an extensive collection of 97,500 independent molecular dynamics simulations.
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提供机构：
figshare
创建时间：
2024-05-01
