3.15 million representative non-covalent dimers and energies from the PDB
download from https://zenodo.org/records/18213106
or using zenodo-get:
pip install zenodo-get
zenodo_get 10.5281/zenodo.18213106
Lejia Zeng, Xintong Zhang, Yuchan Pei, Lifeng Zhao, Lan Hua, Jincai Yang, Niu Huang; Developing a machine-learning interatomic potential for non-covalent interactions in proteins. Digital Discovery 2026; 5 (7): 2952–2967. https://doi.org/10.1039/d6dd00056h