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
Platform: UNKNOWN
Requires-Python: >=3.7
Requires-Dist: matchms (>=0.6.1)
Requires-Dist: streamlit
Requires-Dist: numpy
Requires-Dist: spec2vec
Requires-Dist: pydot
Requires-Dist: networkx
Requires-Dist: plotly
Requires-Dist: h5py (<3.0.0)
Requires-Dist: tensorflow
Provides-Extra: dev
Requires-Dist: bump2version ; extra == 'dev'
Requires-Dist: isort (<5,>=4.2.5) ; extra == 'dev'
Requires-Dist: prospector[with_pyroma] ; extra == 'dev'
Requires-Dist: pytest ; extra == 'dev'
Requires-Dist: pytest-cov ; extra == 'dev'
Requires-Dist: sphinx (!=3.2.0,<4.0.0,>=3.0.0) ; extra == 'dev'
Requires-Dist: sphinx-rtd-theme ; extra == 'dev'
Requires-Dist: sphinxcontrib-apidoc ; extra == 'dev'
Requires-Dist: yapf ; extra == 'dev'

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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
```


