Awesome

SpookyNet

When using this code, please cite:

Unke, O. T., Chmiela, S., Gastegger, M., Schütt, K. T., Sauceda, H. E., & Müller, K. R. (2021). Spookynet: Learning force fields with electronic degrees of freedom and nonlocal effects. Nat. Commun. 12(1), 2021, 1-14.