Data for ML-TPS study: alanine dipeptide and azobenzene

data for companion github repository: https://github.com/nikitafedik/ml_tps_si after git cloning the repository, download, insert and unpack the data.tar.zst in the repo root folder: git clone https://github.com/nikitafedik/ml_tps_si.gitcd ml_tps_siwget https://zenodo.org/records/15047941/files/data.tar.zsttar --use-compress-program=zstd -xf data.tar.zs