Investigating the hyperparameter space of deep neural network models for reaction coordinates: Revisiting the solvent coordinate in alanine dipeptide isomerization
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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".
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Zenodo创建时间：
2024-12-11
