MS-ML/synth2_2x4.8M
Synthetic mass spectra dataset No. 2 This is the second iteration of the GC-EI-MS synthetic dataset generated by NEIMS and RASSP models from 4.8 million structures downloaded from ZINC 20. The overlap with version 1 is approximately 8k structures (negligible), so it's usable as an extension to synth1. Spectra generators For generating this dataset, we used custom-trained NEIMS and RASSP models. We did this step because RASSP model is not publicly available and we… See the full description on the dataset page: https://huggingface.co/datasets/MS-ML/synth2_2x4.8M.
| Author / organization | MS-ML |
|---|---|
| License (as declared) | cc-by-nc-4.0 |
| Downloads | 130 (as reported by Hugging Face) |
| Likes | 1 |
| Created | 2 December 2024 |
| Last updated at source | 12 August 2026 |
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- MS-ML/SpecTUS_pretrained_onlyModel · used to train
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