Dataset for Cut-SOAP: A Descriptor for Machine Learning–Driven Adsorption Potential Energy Surface Modeling
收藏Zenodo2025-09-30 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.17235988
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资源简介：
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.
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Zenodo创建时间：
2025-09-30
