MolLingo introduces a multi-agent framework with BFE molecular representation and docking-grounded reasoning to outperform frontier LLMs on molecular design benchmarks including fourfold docking score gains.
Toward closed-loop molecular discovery via language model, property alignment and strategic search.arXiv preprint arXiv:2512.09566, 2025
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MolLingo: Molecule-Native Representations for LLM-Powered Scientific Agents
MolLingo introduces a multi-agent framework with BFE molecular representation and docking-grounded reasoning to outperform frontier LLMs on molecular design benchmarks including fourfold docking score gains.