Polymer Configurations for Confusion-Driven Machine Learning of Structural Phases in Magnetic Stockmayer Polymers
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https://zenodo.org/doi/10.5281/zenodo.15851811
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资源简介：
This dataset contains polymer configuration files used as input to the confusion_method.ipynb notebook in the associated GitHub repository ml-confusion-polymer. These configurations were used to analyze structural phase behavior in magnetic Stockmayer polymers, as described in the paper:
“Confusion-Driven Machine Learning of Structural Phases of a Flexible, Magnetic Stockmayer Polymer” Dilina Perera, Samuel McAllister, Joan Josep Cerdà, and Thomas Vogel, J. Chem. Theory Comput. (2025)https://doi.org/10.1021/acs.jctc.5c00381
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Zenodo
创建时间：
2025-07-10
