Performance of ML models trained separately on each individual MD run and tested on the other MD runs.
收藏Figshare2015-12-02 更新2026-04-29 收录
下载链接：
https://figshare.com/articles/dataset/_Performance_of_ML_models_trained_separately_on_each_individual_MD_run_and_tested_on_the_other_MD_runs_/902516
下载链接
链接失效反馈官方服务：
资源简介：
RMSE: root mean square error (kJ/mol), MAE: mean absolute error (kJ/mol), MAE (%): MAE as a percentage of the range of training set energy values, R2: squared Pearson correlation coefficient.
创建时间：
2015-12-02
