Supporting data for "Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics" by M. Bocus, R. Goeminne, A. Lamaire, M. Cools-Ceuppens, T. Verstraelen and V. Van Speybroeck, Nature Communications, 2023, 14, 1008. This dataset contains examples of input files, submission and analysis scripts to train and use a machine learning potential based on the Schnet architecture for the proton hopping reaction in the H-CHA zeolite. The complete DFT training set, obtained by unbiasing the forces printed by CP2K (with PLUMED coupling), is stored as extended xyz files in the folders DFT/A-B/training_data.xyz where A=1-3 and A<B<5. More details on the folder architecture can be found in the README.md file.