SpectrumWorld/SA-MolNMR-Exp-1M

SA-MolNMR Experimental Dataset This dataset contains processed experimental molecular NMR records. Each example includes a SMILES string, molecular formula, atom count, and tokenized NMR input containing both proton NMR and carbon NMR data. Dataset Details The dataset is organized into train, validation, and test splits: Split Examples Train 937,022 Validation 117,035 Test 117,205 Total 1,171,262 The train, validation, and test splits contain… See the full description on the dataset page: https://huggingface.co/datasets/SpectrumWorld/SA-MolNMR-Exp-1M.