matchms / ms2deepscore

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
Apache License 2.0
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Additional input parameters #115

Closed florian-huber closed 1 year ago

florian-huber commented 1 year ago

Pull request from @djoas. I moved it in #111 to run full continuous integration pipeline.

One thing that's missing is adding tests for the additional input option. Suggestion:

djoas commented 1 year ago

I also added a test to test_data_generators.py

florian-huber commented 1 year ago

Great work @djoas, looks very good to me now! 🚀 I will wait for the tests to pass and will then merge it into main.

justinjjvanderhooft commented 1 year ago

Great! 😊 😎