Reproducing figures from the "Pushing the frontiers of density functionals by solving the fractional electron problem" paper

Hello, im a undergrad student and i currently try to reproduce the plots of fig. 2A and 3A (DM21 paper) with pyscf. Im new to pyscf so i don't have that much experience and i would be very glad if someone could maybe help me out how to implement this or give hints (for example how to handle fractional charge behavior). Is there also maybe an example code somewhere which i didn't see?

i'm also quiete new to GitHub so i hope this is the correct way to ask.

best regards and thanks in advance!