GEOM with Hessians
收藏官方服务：
资源简介：
Here you can find 1.3 million Hessians from 1,511 species in the BACE dataset. The conformers were computed with CREST using xTB, and released as part of the GEOM dataset. If you use this data, please cite our paper: https://www.nature.com/articles/s41597-022-01288-4.
创建时间：
2022-08-03
