Closed miguelgondu closed 2 months ago
The pipeline also includes some interesting other properties (e.g. energies).
Updated version: https://github.com/KULL-Centre/_2024_Cao_CALVADOSCOM
Hey Simon, should we close this issue? (Maybe after adding a comment with our conclusions on whether CALVADOS makes sense to add)
Yes, I agree. For now there is no meaningful objective that we can optimize with CALVADOS.
https://github.com/KULL-Centre/CALVADOS/tree/main