Metadata-Version: 2.1
Name: ms2query
Version: 0.1.0
Summary: Tool to query MS/MS spectra against GNPS library data.
Home-page: https://github.com/iomega/ms2query
Author: Netherlands eScience Center
Author-email: 
License: Apache Software License 2.0
Description: ![GitHub Workflow Status](https://img.shields.io/github/workflow/status/iomega/ms2query/CI%20Build)
        ![GitHub](https://img.shields.io/github/license/iomega/ms2query)
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        <img src="https://github.com/iomega/ms2query/blob/main/images/ms2query_logo.svg" width="280">
        
        ### 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
        ```
        
Platform: UNKNOWN
Requires-Python: >=3.7
Provides-Extra: dev
