Metadata-Version: 2.1
Name: ms2query
Version: 0.2.2
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: numpy
Requires-Dist: spec2vec
Requires-Dist: h5py (<3.0.0)
Requires-Dist: tensorflow
Requires-Dist: ms2deepscore
Requires-Dist: gensim (>=4.0.0)
Requires-Dist: pandas (>=1.2.5)
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 fast library searching for both analogs and true matches.

## Local installation of MS2Query
### Prepare environmnent
We recommend to create an Anaconda environment with

```
conda create --name ms2query python=3.8
conda activate ms2query
```
### Pip install MS2Query
MS2Query can simply be installed by running:
```
pip install ms2query
```

## Contributing

If you want to contribute to the development of ms2query,
have a look at the [contribution guidelines](CONTRIBUTING.md).

## License

Copyright (c) 2021, Netherlands eScience Center

Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.


