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Update to testing version 3.9 - 3.11 #243

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merged 30 commits into from
Jul 2, 2024
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@niekdejonge niekdejonge commented Jun 24, 2024

Made MS2Query MS2Deepscore 2.0 compatible.

Still to do:

  • Train new models. (currently running)
  • Upload new models to zenodo
  • Update links in MS2Query to zenodo

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sonarcloud bot commented Jun 24, 2024

result = generate_test_results_ms2query(ms2library, local_test_spectra)
np.testing.assert_almost_equal(result[0], (0.5645, 0.003861003861003861, False))
np.testing.assert_almost_equal(result[1], (0.409, 0.010610079575596816, False))
results = generate_test_results_ms2query(ms2library, local_test_spectra)
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@florian-huber We had many tests that check for specific outcomes of the models. This is not easily maintainable, here I have removed all these specific checks and replace with checks for correct types instead of values. Do you think this is the way to go? Or do you have any other suggestions?

@niekdejonge niekdejonge merged commit 84ecb57 into main Jul 2, 2024
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@niekdejonge niekdejonge deleted the make_ms2deepscore_compatible branch July 2, 2024 09:11
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