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.
Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts.Nature Computational Science, 5(4):292–300, 2025
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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.