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News/MARCO: Multi-Round Agentic Reinforcement for Conditional Molecular Optimization
arxiv
PublishedOctober 1, 2026 at 4:00 AM

MARCO: Multi-Round Agentic Reinforcement for Conditional Molecular Optimization

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arXiv:2609.36683v1 Announce Type: new Abstract: Molecular optimization is inherently iterative: a candidate is proposed, evaluated against several objectives, and revised while preserving a relationship to the source molecule. Most instruction-following models instead emit one edited molecule, forci

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