Ms2query

Latest version: v1.5.3

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1.5.3

Fixed
- Updated the doi to the MS2Query library. This new library has a fix for a bug misrepresenting the compound classes.

1.5.2

Fixed
- Handle missing compound names. Previously MS2Query would break, when no compound name was available for an analog.
- Fix bug for creating sqlite files. Missing compound class annotations would be stored incorrectly. The creation now works correctly, but the download link to the models, still points to the sqlite files with mistakes. MS2Query can be used, but this leads to weird formatting in the results file of the class annotations.

1.5.1

Fixed
- Set max matchms version, since breaking change was introduced (missing add_losses)
- Set max scipy version, since breaking change was introduced (for windows)

1.5.0

Changed
- MS2Query is now tested on python 3.9 and 3.10 instead of 3.8 and 3.9
- MS2Query is using MS2Deepscore 2.0. This is a breaking change, making MS2Query not work with old models anymore
- Updated model to use MS2Deepscore 2.0 and used newly available training data for all models.

1.4.0

Changed
- Made compatible with MS2Deepscore 0.5.0

1.3.0

Changed
- New models have to be downloaded, since this version is not compatible with the older models! Embeddings have to be stored as parquet.
- Embeddings are now stored by parquet instead of pickle
- Made MS2Query compatible with matchms 0.24.0

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