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Bibliographic Details
Main Author: Torlao, Virginio
Format: Recurso digital
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Published: Zenodo 2025
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Online Access:https://doi.org/10.5281/zenodo.17218766
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  • <p>This dataset contains featurized materials data derived from the <a target="_new" rel="noopener">Materials Project</a> database. The data has been processed and transformed into machine learning–ready features for the task of predicting formation energy.</p> <p>The dataset was used in training and evaluating deep learning models with Bayesian optimization, k-fold cross-validation, and early stopping. It provides a reproducible foundation for further research in computational materials science and machine learning applications in predicting materials properties.</p> <p><em>Original raw data was obtained from the Materials Project and further featurized by the author.</em></p>