Simulating liquid formation using the Allegro MLP proved to be challenging. When examining the averaged structural properties of 1500 K (N, V, T ) trajectories, it appears that Allegro performs on par with NequIP as illustrated in Figure . However, upon closer investigation into the structural integrity with the help of our Python library amof, we identify broken imidazolate linkers. Such occurrences are relatively infrequent, typically happening once per single cell every 100 ps at 1500 K. By systematic checks, we found that every simulation above 1300 K could lead, if given enough time, to these unphysical events as shown in Fig- . Temperatures below 1300 K, on the other hand, result in no organic bond breaking (see Figure ).