We extracted unseen Pd-containing catalysts from the Crystallography Open Database and compared these to the AIMNet2-Pd predicted geometries. Figure presents structural overlaps with RMSD for species having four-coordinated Pd atom centers as well as compounds with multiple Pd atoms. For experimental structures with disordered pendant groups, arising from methyl rotations, the minimum RMSD geometry with respect to the AIMNet2-Pd optimized structures were selected. The small RMSD values, 0.027-0.120 Å, confirm that AIMNet2-Pd can reliably identify the structures of broader classes of catalytically relevant Pd-containing compounds. As an expanded test of recovering experimental crystal structure conformations, we compared AIMNet2-Pd optimized geometries with 390 Cambridge Structural Database 47 structures reported after 2023 (i.e., after our training set was constructed), see Figure . Even when faced with a broad scope of organopalladium chemistry, our model results in 95% of structures falling within RMSD window of 0.18 Å. Next, we considered transition structures involved in reactions catalyzed by Pd-bisphosphine ligands and dinuclear Pd(I) species and compared them to the results from our reference DFT calculations. Pd-BrettPhos catalyzes a reductive elimination step to form methoxybiphenyl through the transition structure shown in Figure . AIMNet2-Pd is found to predict the angle around the Pd center and distance between cross-coupling product components within 2.21 o and 0.07 Å of the DFT results, respectively. We also examine a challenging case of a dinuclear Pd (I) catalyst, a class of systems introduced by Schoenebeck and coworkers , undergoing oxidative addition (Figure ). Here a similar level of agreement for angles and distances is found, 4.69 o and 0.08 Å, respectively.