meaw0415/NMRGym
NMRGym Benchmark on NMR Spectrum. !!! Important: !!! If you need access to the dataset, please email [email protected] Data Sources (Before Cleaning) Source Records Unique SMILES Total Spectrums ¹H NMR ¹³C NMR CH-NP 12,165 12,165 24,326 12,161 12,165 HMDB 1,791 896 3,278 1,566 1,712 NMRBank 148,914 142,964 297,043 148,437 148,606 NMRShiftDB 2024 41,019 39,631 50,416 18,570 31,846 NP-MRD 489,569 243,598 950,242 462,233 488,009… See the full description on the dataset page: https://huggingface.co/datasets/meaw0415/NMRGym.
| Author / organization | meaw0415 |
|---|---|
| License (as declared) | mit |
| Downloads | 573 (as reported by Hugging Face) |
| Likes | 7 |
| Created | 27 October 2025 |
| Last updated at source | 3 June 2026 |
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