Xuebing1994/GeMS

GeMS（GNPS实验性质谱）数据集包含从MassIVE GNPS存储库挖掘的数亿个未标注的MS/MS光谱，用于DreaMS项目。此外，还包括DreaMS Atlas（一个基于DreaMS嵌入构建的2.01亿MS/MS光谱分子网络）以及用于微调DreaMS的带有分子结构标注的MS/MS光谱（来自MoNA的过滤子集）。GeMS (GNPS Experimental Mass Spectra) dataset contains up to hundreds of millions of unannotated MS/MS spectra mined from the MassIVE GNPS repository, used for the DreaMS project. It also includes DreaMS Atlas - a molecular network of 201 million MS/MS spectra constructed using DreaMS embeddings, and MS/MS spectra labeled with molecular structures for fine-tuning DreaMS (filtered subset of MoNA).