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.
Graphbpe: Molecular graphs meet byte-pair encoding.arXiv preprint arXiv:2407.19039
2 Pith papers cite this work. Polarity classification is still indexing.
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2026 2verdicts
UNVERDICTED 2representative citing papers
h-MINT improves ligand-protein binding affinity prediction by 2-4% and virtual screening metrics by 1-3% via overlapping fragment tokenization and hierarchical modeling.
citing papers explorer
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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.
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h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
h-MINT improves ligand-protein binding affinity prediction by 2-4% and virtual screening metrics by 1-3% via overlapping fragment tokenization and hierarchical modeling.