arXiv AI
Molecular LLM Agents: From Architectural Design to Scientific Autonomy
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Molecular LLM Agents: From Architectural Design to Scientific Autonomy
Molecular science represents an important frontier for LLM-based agents. Unlike general agents that mainly operate over natural language, code, or web environments, molecular LLM agents must perceive,...
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MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback
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Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents
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CAi Copilot: Reducing Operational Workload in Molecular Design through Intent-Driven Agentic Workflows
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