Data publication: Scalable Machine Learning Model for Energy Decomposition Analysis in Aqueous Systems
收藏DataCite Commons2025-12-19 更新2026-05-05 收录
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https://rodare.hzdr.de/record/4170
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资源简介：
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.
提供机构：
Rodare
创建时间：
2025-12-02
