Table 7.
Mean errors in kJ/mol in barrier heights over the molecules in the TorsionNet 500 dataset compared to the ωB97M-D3(BJ)/def2-TZVPPD reference energies.
| Small | Medium | Large | |
|---|---|---|---|
| Mean Absolute Error | 1.69 | 1.30 | 1.06 |
| Mean Signed Error | −0.32 | −0.10 | −0.02 |
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