snehasis19/opendatalab-experimental-nmr-peaks

OpenDataLab Experimental NMR Peaks Dataset Dataset Description This dataset contains experimental NMR (Nuclear Magnetic Resonance) peak sequences extracted from the OpenDataLab experimental spectra database. The dataset includes both H-NMR and C-NMR peak sequences for chemical compounds, along with their SMILES representations and molecular formulas. Dataset Summary Total Samples: 533,595 compounds Batches: 333 batch files Data Source: Experimental… See the full description on the dataset page: https://huggingface.co/datasets/snehasis19/opendatalab-experimental-nmr-peaks.