Open ghutchis opened 1 year ago
While GFN-FF, GFN2, and ANI are probably the best options for accuracy, it might help for benchmarking to have MMFF94, GAFF, and UFF methods:
While GFN-FF, GFN2, and ANI are probably the best options for accuracy, it might help for benchmarking to have MMFF94, GAFF, and UFF methods: