PDBBind v2020
收藏arXiv2025-09-30 收录
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https://github.com/rlabduke/reduce
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资源简介：
该数据集名为PDBBind v2020，包含了从蛋白质数据库（Protein Data Bank，简称PDB）收集的19,443个蛋白质-配体复合物的结构。该数据集被划分为17,000多个复合物用于训练和验证，而另外363个复合物用于测试，且在测试集中配体之间没有重叠。该数据集的规模为19,443个复合物，所涉及的任务是分子对接。
This dataset is named PDBBind v2020, which contains 19,443 protein-ligand complex structures collected from the Protein Data Bank (PDB). It is divided into over 17,000 complexes for training and validation, while the remaining 363 complexes are used for testing, with no overlapping ligands in the test set. This dataset has a total of 19,443 complexes and is intended for the molecular docking task.
提供机构：
PDBBind
搜集汇总
数据集介绍
以上内容由遇见数据集搜集并总结生成
