For descriptor-based models, the Smooth Overlap of Atomic Positions (SOAP) descriptor was used due to its universality . The parameters for the SOAP descriptor were set as follows: a cutoff for the local region of 4.0 Å, 6 radial basis functions, and a maximum degree of spherical harmonics of 6. RF and KRR implemented in scikit-learn were adopted, and the hyperparameters were tuned using grid search.