Discrete Ricci Curvature on Protein Contact Graphs for Lightweight Fold Classification

תקציר מקורי באנגליתarXiv:2607.16553v1 Announce Type: new Abstract: Protein fold classification can be approached via sequence-based representations or structural descriptors, but direct comparisons between lightweight handcrafted descriptors and pretrained protein language model embeddings remain limited. We investigate discrete Ricci curvature on Calpha contact graphs as a lightweight structural descriptor for fold classification. Each protein domain is represented by a 22-dimensional fixed-length feature derived from summary statistics and quantiles of Ollivier-Ricci and Forman-Ricci edge curvature distributions. We evaluate on CATH top-10 Topology classification and on the ASTRAL 40%-identity SCOPe top-10 Fold benchmark, comparing against geometry, contact-graph statistics, persistent homology, and mean-p