Published in University of Oxford Research Archive (ORA) dataset; also on Hugging Face (oxai4science/sagan-mc, DOI 10.57967/hf/5637), 2025
SaganMC: A molecular complexity dataset with mass spectra
Recommended citation: Baydin, A.G., Bell, A., Gebhard, T., Gong, J., Hastings, J., Fricke, M., Phillips, M.S., Warren-Rhodes, K., et al. (2025). "SaganMC: A molecular complexity dataset with mass spectra." University of Oxford Research Archive (ORA) dataset; also on Hugging Face (oxai4science/sagan-mc, DOI 10.57967/hf/5637).
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