2 papers
cs.LG2026
DrugSAGE:Self-evolving Agent Experience for Efficient State-of-the-Art Drug Discovery
Yikun Zhang, Xiwei Cheng, Tianyu Liu +2
Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over tools, architectures, and training strategies. Current LLM-based agents can fin…
cs.LG2025
BindEnergyCraft: Casting Protein Structure Predictors as Energy-Based Models for Binder Design
Divya Nori, Anisha Parsan, Caroline Uhler +1
Protein binder design has been transformed by hallucination-based methods that optimize structure prediction confidence metrics, such as the interface predicted TM-score (ipTM), vi…