Support Information for Machine-learning nonadiabatic couplings enable reactive photochemical reaction dynamics
收藏Figshare2026-03-11 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Support_Information_for_Machine-learning_nonadiabatic_couplings_enable_reactive_photochemical_reaction_dynamics/31543393
下载链接
链接失效反馈官方服务：
资源简介：
These folders contain information for each reaction:Dataset: training, validation, and test set for each modelCompiled_ModelsML-NAMD - Contains subdirectories depending on the number of trajectories. For example, for DBH has 500-NAMD and 5000-NAMD. Inside the subdirectories are .json files containing the trajectories data.
创建时间：
2026-03-11
