The training of our Allegro MLP has been described above already, as well as its accuracy on energies and atomic forces (see Table ). The learning curves, and their comparison with NequIP, are presented in Figure . The main conclusion is that the MAE on forces for that Allegro model is twice as large as for NequIP, and we investigated the impact of this slightly lower accuracy on the physical properties of our systems. We found that the Allegro MLP reproduces very well the properties of low temperature systems (300 K): the ZIF-4 crystal and the ab initio glasses. As shown on Figure , structural properties are reproduced as well as with NequIP when evaluated on 100 ps (N, V, T ) trajectories.