Tool to query MS/MS spectra against GNPS library data.
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### MS2Query - machine learning assisted library querying of MS/MS spectra. MS2Query is a tool for searching for chemically related compounds based on only MS/MS spectra information.
## Local installation of MS2Query ### Prepare environmnent We recommend to create an Anaconda environment with
` conda create --name ms2query python=3.7 conda activate ms2query ` ### Clone repository Clone the present repository, e.g. by running ` git clone https://github.com/iomega/ms2query.git ` And then install the required dependencies, e.g. by running the following from within the cloned directory ` pip install -e . `
## Run app locally Enter in terminal: ` streamlit run ms2query_app.py `
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