December 2, 2025 Dataset Open Access

Tahmasbi, Hossein; Beerbaum, Michael; Brzoza, Bartosz; Cangi, Attila; Kühne, Thomas Dae-Song

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    <subfield code="a">&lt;p&gt;You can find the Python scripts we developed&amp;nbsp;to train a neural network model to predict the electron delocalization energies of water molecules here. The training datasets are not included but can be provided upon reasonable request.&lt;/p&gt;</subfield>
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    <subfield code="a">Data publication: Data publication: Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems</subfield>
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