Benchmark of machine learning potentials
Table of Contents
Data, code, input files, and tutorial
Please refer to our tutorial page on how to perform benchmark of machine learning potentials and also reproduce the results published in DOI: 10.1039/D1SC03564A. This tutorial page also contains links to the required data, input files, and code. See also the repository of the data used in above publication on Figshare (DOI: 10.6084/m9.figshare.c.2878631).
Learning curves
Learning curves for energies-only training
Learning curves for energies+forces training
