Dataset for "Accelerating High-Throughput Catalyst Screening by Direct Generation of Equilibrium Adsorption Structures"
收藏DataCite Commons2025-12-15 更新2026-04-25 收录
下载链接：
https://figshare.com/articles/dataset/Dataset_for_Accelerating_High-Throughput_Catalyst_Screening_by_Direct_Generation_of_Equilibrium_Adsorption_Structures_/30882545/1
下载链接
链接失效反馈官方服务：
资源简介：
The initial structure and relaxation structures of the adsorption obtained by cleaning the CatHub data, which were used for the training of DBCata model.
提供机构：
figshare
创建时间：
2025-12-15
