A mixture of small and large molecules was chosen to evaluate ML performance on potential energy surfaces for a total of 17 bond stretches and 5 dihedral scans. The molecules examined were benzene (C-C and C-H stretching), methanol, methane, CO, H 2 , ethylene, water, acetylene, hydrogen cyanide, N 2 , ammonia, biphenyl, aspartame, sucrose, dialanine, and diglycine. Bond stretches were evaluated every 0.1 Å while dihedrals were evaluated every 20 with the exception of biphenyl which was every 15 .