SpectraLLM is an LLM fine-tuned to predict small-molecule structures from single or multiple spectra, reporting state-of-the-art results on four public benchmarks with gains from multi-modal input.
Polymer Composites 41(10), 3940–3965 (2020)
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SpectraLLM: Uncovering the Ability of LLMs for Molecular Structure Elucidation from Multi-Spectral Data
SpectraLLM is an LLM fine-tuned to predict small-molecule structures from single or multiple spectra, reporting state-of-the-art results on four public benchmarks with gains from multi-modal input.