Multi-agent LLMs classify USPTO reactions and write verified SMIRKS rules, expanding a reaction taxonomy from 68 to 14,073 classes and matching proprietary classifiers on held-out and out-of-distribution data.
arXiv preprint arXiv:2307.07443 , year=
2 Pith papers cite this work. Polarity classification is still indexing.
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MolReFlect introduces a teacher-student framework that automatically creates fine-grained molecule-text alignments to achieve SOTA results on molecule-caption translation.
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Agentic generation of verifiable rules for deterministic, self-expanding reaction classification
Multi-agent LLMs classify USPTO reactions and write verified SMIRKS rules, expanding a reaction taxonomy from 68 to 14,073 classes and matching proprietary classifiers on held-out and out-of-distribution data.
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MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts
MolReFlect introduces a teacher-student framework that automatically creates fine-grained molecule-text alignments to achieve SOTA results on molecule-caption translation.