RamanBench unifies 74 datasets into the first large-scale reproducible benchmark for ML on Raman spectra, finding tabular foundation models outperform baselines but no method generalizes across datasets.
Massspecgym: A benchmark for the discovery and identification of molecules.Advances in Neural Information Processing Systems, 37:110010–110027
2 Pith papers cite this work. Polarity classification is still indexing.
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SpecX is a new large-scale multi-modal spectroscopy benchmark with tiered datasets that supports unified evaluation across specialized models and MLLMs, showing specialized models excel at signal-level tasks while MLLMs are stronger in high-level reasoning but weaker in precise spectral grounding.
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RamanBench: A Large-Scale Benchmark for Machine Learning on Raman Spectroscopy
RamanBench unifies 74 datasets into the first large-scale reproducible benchmark for ML on Raman spectra, finding tabular foundation models outperform baselines but no method generalizes across datasets.
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SpecX: A Large-Scale Benchmark for Multi-Modal Spectroscopy and Cross-Paradigm Evaluation
SpecX is a new large-scale multi-modal spectroscopy benchmark with tiered datasets that supports unified evaluation across specialized models and MLLMs, showing specialized models excel at signal-level tasks while MLLMs are stronger in high-level reasoning but weaker in precise spectral grounding.