7 citations · 8 across the 3 of their papers we have counts for
4 papers
MoLRSI: A Recursive Self-Improving AI agent for Molecular Discovery
Yikun Zhang, Xiwei Cheng, Mingze Yuan +15
Molecular discovery requires navigating vast combinatorial search spaces while balancing competing biological objectives. AI agents can automate expert-defined molecular design pro…
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…
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…
RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching
Divya Nori, Wengong Jin
The growing significance of RNA engineering in diverse biological applications has spurred interest in developing AI methods for structure-based RNA design. While diffusion models…