This repository contains supplementary data supporting the findings of the paper:
"Machine learning potentials for complex aqueous systems made simple" Christoph Schran, Fabian L. Thiemann, Patrick Rowe, Erich A. Müller, Ondrej Marsalek, and Angelos Michaelides
The content of this repository is licensed under the CC-BY-SA-4.0 license. See the file LICENSE for details.
models: All parameters of the C-NNP models for the six aqueous systems studiedtraining-sets: All training sets of the C-NNP models for the six aqueous systems studied