Research code supporting the publication “Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories”

Supplementary material for the manuscript 'Designing a set of criteria for evaluating Artificial Neural Networks trained with physics-based data to replicate Molecular Dynamics and other particle methods trajectories.' by Alessio Alexiadis. It contains four Jupyter notebooks used to carry out the calculations in the manuscript. They require pytorch. A README file is provided in the contents of the folder with details on the code use and Creative Commons license.