We find that most reaction intermediates are predicted with less than 0.1 Å RMSD relative to the DFT reference values, indicating AIMNet2-Pd has learned accurate minima positions on the complex potential energy surface. The oxidative addition and reductive elimination transition states are among the highest RMSD, albeit with modest structural deviations of 0.191 Å and 0.175 Å, respectively. Disagreement at these transition states is mainly associated with a slight misalignment of pendant phenyl groups. Given the generally lower performance of MLIPs for noncovalent complexes, it is gratifying to note that the transmetalation transition state is predicted with an accuracy comparable to the other catalytic cycle intermediates. The AIMNet2-Pd transition structures closely reproduce the approximately T-shaped geometry from DFT. This correlation is consistent across other catalytic cycle steps for 3-coordinated Pd atoms: the systems deviating the most from T-shaped geometries display greater structural disagreement, further indicating the importance of effective far-from-equilibrium sampling. Figure shows the energetics of the key steps in the catalytic cycle from Figure for the four ligands. It should be noted that the full reaction profile for each species, including optimizations, can be obtained within minutes of computing time on a GPU with AIMNet2-Pd. In contrast, DFT profiles take more than several days to compute, depending on the number of CPU resources available (typically 16 for a single catalyst) and the size of the organometallic complex. As shown in Figure , 77% of the relative energies are within 1.5 kcal/mol of the DFT reference values across the Suzuki-Miyaura pathways considered. ). Major intermediates and transitions states displayed are 2D: unfavorable dissociative pathway, 2A: bromobenzene complex, 3: pre-oxidative addition complex, TS2: oxidative addition transition state, 4: post-oxidative addition complex, 5: hydroxyboronate complex, TS3: transmetalation transition state, 6: post-transmetalation complex, 7: pre-reductive elimination complex, TS4: reductive elimination transition state, 8: post-reductive elimination complex, 9P: biphenyl product. B) Cumulative frequency of covered structures with respect to of the relative energy threshold that the predictions of part A) fall within.