For lattice energy predictions, the model exhibits marked attention to the hydrogen-bonding benzidimazole groups of the T2 molecule (Fig. ). To evaluate the accuracy of the chemical insights provided by these attention scores, an electron density difference (EDD) analysis was performed on T2-γ, as shown in Fig. . The yellow isosurfaces represent regions with increased electron density, while the blue isosurfaces indicate regions with decreased electron density. Normally, a larger magnitude of electron density shift indicates a stronger intermolecular interactions. Notably, expanding to a supercell, we observe strong attention in regions corresponding to the areas of intense intermolecular interactions (Fig. ). A similar phenomenon can also be observed in other experimental T2 polymorphs, as shown in Fig. and Fig. . This suggests that the model's attention aligns with key regions of strong intermolecular interactions, which play a crucial role in stabilising the crystal structure. Given that subtle changes in these strong interactions can lead to significant differences in lattice energy , the fine-tuned model appears to have effectively captured the critical chemical features necessary for accurate lattice energy predictions. blue isosurfaces = decreased electron density). The strong intermolecular interactions are found for the atoms that were attended to in e, also for other experimental T2 polymorphs (Fig. and Fig. ). In the unit cells, the atomic size is proportional to normalized attention scores, with scores less than 0.005 being clipped to avoid extremely small atoms (colour code: C, cyan; H, white; N, blue; O, red). In the persistence images, the 10 patches with the highest attention scores are visualized with a salmon-coloured overlay, where stronger intensities represent higher attention scores.