Data for the study: "Variational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional"

<p>This set of files contains the raw data generated by the study titled:</p> <p>&quot;Variational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional&quot;</p> <p>Contains:</p> <p>- A set of Jupyter Notebooks to analyzed the data and produce the figures presented in the paper.</p> <p>- runs: Contains the training and validation scripts for each of the systems studied in this work. Also holds the model weights and validation data.</p> <p>Three folders are found: Hchain, noninteracting and Atoms.</p> <p>- datasets: Holds all the datasets generated and employed in this work.</p>