Dataset for Cut-SOAP: A Descriptor for Machine Learning–Driven Adsorption Potential Energy Surface Modeling

Dataset for the paper: Cut-SOAP: A Descriptor for Machine Learning–Driven Adsorption Potential Energy Surface Modeling Contains four folders: binaries: serialized files for the fitted Cut-SOAP, trained model, and fitted scaler. cutsoap_data: dataset formatted using Cut-SOAP cutsoap_data_rbl: dataset formatted using Cut-SOAP + oversampling rebalancing. synthetic_data: synthetic dataset generated to assess the model's real-world performance. More information can be found in the GitHub repository.