Data for: "Data efficiency and extrapolation trends in neural network interatomic potentials"

This repository contains the data necessary to reproduce the following paper:

J. Vita and D. Schwalbe-Koda, "Data efficiency and extrapolation trends in neural network interatomic potentials", 2023 Mach. Learn.: Sci. Technol.

For the ip_explorer source code, see https://github.com/jvita/ip_explorer

Release

The data is distributed under the following license: CC BY 4.0

LLNL-CODE-852928