Therapeutic Data Commons (TDC) Docking Benchmark

该数据集涵盖了多种用于评估生成分子药物性质的目标蛋白，重点关注结合亲和力等特性。具体来说，数据集包含了7个目标蛋白（PDB编号分别为：1iep、3eml、3ny8、4rlu、4unn、5mo4、7l11），这些蛋白来自不同领域，适合用于评估不同的药物设计模型。此外，该数据集的任务是基于对接分数和其他药物性质来评估药物设计模型的性能。

This dataset covers a variety of target proteins for evaluating the properties of generated molecular drugs, with a focus on characteristics such as binding affinity. Specifically, the dataset contains 7 target proteins with PDB IDs: 1iep, 3eml, 3ny8, 4rlu, 4unn, 5mo4, and 7l11. These proteins originate from diverse fields and are suitable for evaluating different drug design models. Furthermore, the task of this dataset is to evaluate the performance of drug design models based on docking scores and other pharmaceutical properties.