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RosettaSearch uses LLMs to optimize protein sequence design, improving fidelity by up to 68%

Researchers have developed RosettaSearch, a novel method that uses large language models as generative optimizers for protein sequence design. This approach integrates LLMs within a search algorithm that leverages rewards from structure prediction models like RosettaFold3 to explore and refine protein sequences. In evaluations, RosettaSearch significantly improved structural fidelity and design success rates compared to existing methods, demonstrating its effectiveness across different LLM families and protein structures. AI

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IMPACT Introduces a new LLM-driven optimization technique for protein design, potentially accelerating drug discovery and materials science.

RANK_REASON This is a research paper detailing a new method for protein sequence design using LLMs.

Read on arXiv cs.AI →

COVERAGE [1]

  1. arXiv cs.AI TIER_1 · Meghana Kshirsagar, Allen Nie, Ching-An Cheng, Fanglei Xue, Rahul Dodhia, Juan Lavista Ferres, Kevin K. Yang, Frank DiMaio ·

    RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design

    arXiv:2604.17175v2 Announce Type: replace-cross Abstract: We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm …