Supplementary data and code for "Machine learning potential-driven prediction of high-entropy ceramics with ultra-high melting points"
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/14605506
下载链接
链接失效反馈官方服务：
资源简介：
The Supplementary Data and Code is contained in the folder named:1) ML training and testing/Feature selection: feature selection for DTR, GBR, LR, RFR, and SVR models with genetic algorithms, as well as the training dataset of high-entropy diborides' melting points from MD simulations.
2) ML training and testing/Hyperparameter optimization: Hyperparameter optimization for DTR, GBR, LR, RFR, and SVR models.
3) ML training and testing/Optimal model: the optimized GBR model with the training and testing datasets.
4) MTP training and testing: the MTP training code, the training and testing datasets, the trained MTP potential for high-entropy diborides.
创建时间：
2025-01-07
