This branch follows the main branch but adds the interface to the MOPAC-ML wrapper, which provides the machine learning correction for PM6-ML calculations. Information on how to run the calculations is provided there; this branch of MOPAC provides just the executable that MOPAC-ML depends on.
For more information on MOPAC and instructions on compilation, see the README of the main branch.
To cite the use of open-source MOPAC in scientific publications, see the CITATION.cff file in this repository.