Dataset Open Access
Data publication: Data publication: Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems
Tahmasbi, Hossein;
Beerbaum, Michael;
Brzoza, Bartosz;
Cangi, Attila;
Kühne, Thomas Dae-Song
Citation Style Language JSON Export
{
"id": "4170",
"publisher": "Rodare",
"DOI": "10.14278/rodare.4170",
"abstract": "<p>You can find the Python scripts we developed 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.</p>",
"issued": {
"date-parts": [
[
2025,
12,
2
]
]
},
"type": "dataset",
"author": [
{
"family": "Tahmasbi, Hossein"
},
{
"family": "Beerbaum, Michael"
},
{
"family": "Brzoza, Bartosz"
},
{
"family": "Cangi, Attila"
},
{
"family": "K\u00fchne, Thomas Dae-Song"
}
],
"title": "Data publication: Data publication: Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems"
}
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- Publication date:
- December 2, 2025
- DOI:
-
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-42346 - Referenced by:
https://www.hzdr.de/publications/Publ-41905 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International