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niccogreek/nmr-canonical-cleaned

Canonical NMR Dataset Collection — Data Card Dataset release: v4 Canonical schema: v2 Spectral modalities: 1H and 13C resonance-level peak lists Collection overview This release brings several of the largest openly available processed NMR corpora used by current deep-learning methods into one model-independent schema. It combines simulated and literature-derived spectra while preserving the provenance and annotation coverage of every source. The collection has… See the full description on the dataset page: https://huggingface.co/datasets/niccogreek/nmr-canonical-cleaned.

Author / organizationniccogreek
License (as declared)cc-by-4.0
Downloads1.2K (as reported by Hugging Face)
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Created7 August 2026
Last updated at source2 October 2026
chemistrynmrspectroscopymolecular-representation-learning
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