Deep learning similarity measure for comparing MS/MS spectra.
Project description
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# ms2deepscore Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
## Requirements
Python 3.7 or higher
## Prepare environmnent We recommend to create an Anaconda environment with
` conda create --name ms2deepscore python=3.8 conda activate ms2deepscore pip install ms2deepscore ` Alternatively, simply install in the environment of your choice by pip install ms2deepscore.
Or, to have the full matchms functionality: ` conda create --name ms2deepscore python=3.8 conda activate ms2deepscore conda install --channel bioconda --channel conda-forge matchms pip install ms2deepscore `
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