The pre-training and fine-tuning data sets are generated by performing COSMO-RS calculations at the BP86/def2-TZVPD 39-41 level of theory with fine grid cavity, which is commonly known as a BP-TZVPD-FINE level. The COSMO-RS is a hybrid solvation model that uses quantum chemistry and statistical thermodynamics to compute the chemical potential of a compound in a solvent. We have previously demonstrated that the COSMO-RS method can provide accurate predictions of ∆∆G ‡ solv for various neutral closed-shell and free radical reactions in different solvents with a mean absolute error of around 0.45 kcal/mol. The computational workflow used in this work follows that employed in our earlier study. Single-point energy calculations are performed at the BP-TZVPD-FINE level of theory in a COSMO phase and in a gas phase with TURBOMOLE 7.5 for reactants, products, and TSs based on the optimized gas phase geometries obtained from Grambow et al. and Harms et al.; this step generates screening charge densities and energies that are needed for the COSMO-RS calculations. Then, the ∆G solv and ∆H solv of reactants, products, and TSs are computed in 295 common solvents at 298 K with COSMOtherm (release 2021) using the BP TZVPD FINE 21 parametrization based on the COSMO-RS theory, and the ∆∆G ‡ solv and ∆∆H ‡ solv of each reaction are subsequently calculated in 295 solvents at 298 K using equations 1 and 2. Because COSMOtherm does not directly output solvation enthalpy, ∆∆H ‡ solv is obtained by first computing ∆∆G ‡ solv at 297, 298, and 299 K, estimating the temperature gradient at 298 K, and then using the definition ∆H = ∆G -T d∆G dT . Our prior studies showed that the proposed way can yield accurate approximations of solvation enthalpy and these approximated values together with Eq. 5 can give accurate estimates of solvation free energy at a temperature range of 250 K -400 K. The screening charge densities and energies of the 295 solvents are acquired from the COSMObase database. The reactions from Grambow et al. and Harms et al. were each optimized in gas phase at the ωB97XD3/def2-TZVP and M06-2X/cc-pVTZ 52,53 levels of theory in their original work. Although these levels of theory are different from the level used for the COSMO-RS calculations, our prior work demonstrated that the accurate COSMO-RS calculations can be made with the gas phase geometries that are optimized at different levels of theory, which justifies the current computational workflow.