I was thinking about: Synthetic chemistry language MC search language (which does use GAMESS under the hood): https://github.com/drmeister/cando https://github

I was thinking about: Synthetic chemistry language MC search language (which does use GAMESS under the hood): https://github.com/drmeister/cando https://github.com/drmeister/cando And this Mathematica plugin: http://iopscience.iop.org/article/10.1088/1742-6596/698/1/012019 http://iopscience.iop.org/article/10.1088/1742-6596/698/1/01...