Fig. 3: Root-mean-square error (RMSE, in kcal mol−1) of CO2 interaction energies.
The automated OpenBabel-generated structures were used for each molecular representation model. The error bars represent the standard deviation of the RMSE.
Fig. 3: Root-mean-square error (RMSE, in kcal mol−1) of CO2 interaction energies. | Nature Communications
