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.
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.