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 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.
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