Simulating Mass Spectra for Small Molecules using Google Gemini Large Language Model
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Data record for the data descriptor paper on simulating mass spectra using Gemini large language model verion Pro 3.0. Prompts and resulting spectra for the Blood Expsome Database and the Metabolomics Workbench database are provided here. Additionally, the spectra similarity results for a DDA data file for the NIST SRM1905 sample are included here. Spectra similarity were calculated using IDSL.CSA software.
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Zenodo创建时间：
2026-05-10
