arxivcs.CLcs.AIcs.CEcs.LG2026-07-08
Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning
Chen Tang, Yizhou Wang, Jianyu Wu, Lintao Wang, Shixiang Tang, Pengze Li, et al.
Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural…