遇见数据集

Supplementary data and code for "Machine learning potential-driven prediction of high-entropy ceramics with ultra-high melting points"

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Zenodo2025-01-07 更新2026-05-26 收录
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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.

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Zenodo
创建时间:
2025-01-07
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