a LMSYS-style leaderboard of NNP benchmarks
GMTKN55 is a high-accuracy molecular benchmark that measures basic properties, reaction energies, and noncovalent interactions.
The GMTKN55 benchmark comprises 55 subsets. Each subset contains a number of relative energy measurements computed at the CCSD(T) level of theory. When viewing subset-level results, the mean absolute deviation/error (MAD/MAE) in kcal/mol is shown. Each subset is assigned a difficulty weight (see Section 4). When viewing category-level results, the weighted total mean absolute deviation (using the new weights) [WTMAD-2] is shown.