3D Molecule Generation Tasks

该数据集包含了一系列生成3D分子结构任务，旨在提高生成目标分子的查询效率。此外，该数据集通过使用一种查询效率较高的在线黑盒算法进行评估，并与多种基准方法进行了比较。该数据集涵盖了6个3D分子生成任务，主要任务是三维分子生成。This dataset comprises a series of 3D molecular structure generation tasks, designed to enhance the query efficiency for generating target molecules. Furthermore, it is evaluated using an online black-box algorithm with high query efficiency, and compared with multiple baseline methods. This dataset covers six 3D molecular generation tasks, centered on 3D molecular generation.