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Investigating the hyperparameter space of deep neural network models for reaction coordinates: Revisiting the solvent coordinate in alanine dipeptide isomerization

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NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/14378447
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This repository includes the input dataset and the python scripts used in the article, "Investigating the hyperparameter space of deep neural network models for reaction coordinates: Revisiting the solvent coordinate in alanine dipeptide isomerization".
创建时间:
2024-12-11
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