G-SchNet for THz Radiation Detection
收藏DataCite Commons2025-06-16 更新2025-05-07 收录
下载链接：
https://figshare.com/articles/dataset/G-SchNet_for_THz_Radiation_Detection/28539995/2
下载链接
链接失效反馈官方服务：
资源简介：
Data associated with 'Generative design of functional organic molecules for terahertz radiation detection'. Included are:Molecular databases in ASE database (.db) formatDensity functional theory-optimised best candidate molecules in .xyz formatASE databases for xTB calculationsTrained machine learning modelsJupyter Notebooks and scripts associated with the generation, prediction, and analysis workflows<br>
提供机构：
figshare
创建时间：
2025-04-02
