All required quantum-chemical calculations -both for the eb-MBE and possibly also for generating the electron densities and Coulomb potentials required for the db-MBE -are executed by PyAdf. While the generation of densities and potentials as well as the evaluation for the density-based correction require some computational overhead, they do not increase the scaling of the computational effort with the number of fragments. We further note that while a massive parallelization of the eb-MBE and db-MBE is in principle trivial and work towards enabling the parallel execution of the individual quantum-chemical calculations in