Is there a way to implement such methods from this paper: https://dx.doi.org/10.1088/2632-2153/ac9c84 it can be apply to molecules and to crystal. https://github.com/BaratiLab/AugLiChem
Is there a way to implement such methods from this paper: https://dx.doi.org/10.1088/2632-2153/ac9c84
it can be apply to molecules and to crystal.
https://github.com/BaratiLab/AugLiChem