3BPA_test_dih_beta180
收藏DataCite Commons2024-03-28 更新2024-07-13 收录
下载链接：
https://materials.colabfit.org/id/DS_ilijykl0t0fn_0
下载链接
链接失效反馈官方服务：
资源简介：
Test configurations with fixed value for dihedral beta in alpha-gamma plane of 180 degreesfrom 3BPA dataset. Used to showcase the performance of linear atomic cluster expansion (ACE) force fields in a machine learning model to predict the potential energy surfaces of organic molecules.
提供机构：
ColabFit
创建时间：
2024-03-28
