2 papers
cs.LG2026
Proteo-R1: Reasoning Foundation Models for De Novo Protein Design
Fang Wu, Weihao Xuan, Heli Qi +26
Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries…
q-bio.QM2025
A Graph Completion Method that Jointly Predicts Geometry and Topology Enables Effective Molecule Assembly
Rohan V. Koodli, Alexander S. Powers, Ayush Pandit +2
A common starting point for drug design is to find small chemical groups or "fragments" that form interactions with distinct subregions in a protein binding pocket. The subsequent…