December 2, 2025 Dataset Open Access

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

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    "description": "<p>You can find the Python scripts we developed&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.&nbsp;The open-source implementation of this work is available on GitHub: <a href=\"https://github.com/htahmasbi/ALMO_EDA.git?utm_source=chatgpt.com\">https://github.com/htahmasbi/ALMO_EDA.git</a>&nbsp;</p>", 
    "title": "Data publication: Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems", 
    "publication_date": "2025-12-02", 
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        "name": "Tahmasbi, Hossein", 
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