3D Molecule Generation Tasks
收藏arXiv2025-09-30 收录
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https://github.com/kimyong95/guide-stable-diffusion/tree/fast-direct
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资源简介:
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.
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