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Split MS2Query in run and train #192

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niekdejonge opened this issue May 24, 2023 · 0 comments

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niekdejonge commented May 24, 2023 •

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MS2Query has a few dependencies that are only needed to train MS2Query. For instance sckit-learn, matchmsextras, pubchempy, rdkit.

To make sure everything still functions well we should split the tests as well. To make sure running does not depend on any of these packages.

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