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Update SettingsMS2Deepscore.py #222

Merged
merged 37 commits into from
Aug 29, 2024
Merged

Update SettingsMS2Deepscore.py #222

merged 37 commits into from
Aug 29, 2024

Commits on Jul 11, 2024

  1. Update SettingsMS2Deepscore.py

    @florian-huber
    florian-huber committed Jul 11, 2024
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  2. Update README.md

    @florian-huber
    florian-huber committed Jul 11, 2024
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  3. Update MetadataFeatureGenerator.py

    @florian-huber
    florian-huber committed Jul 11, 2024
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  4. Update MetadataFeatureGenerator.py

    @florian-huber
    florian-huber committed Jul 11, 2024
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  5. add docstrings and code

    @florian-huber
    florian-huber committed Jul 11, 2024
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  6. Update SettingsMS2Deepscore.py

    @florian-huber
    florian-huber committed Jul 11, 2024
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  7. Update SiameseSpectralModel.py

    @florian-huber
    florian-huber committed Jul 11, 2024
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Commits on Jul 12, 2024

  1. Merge branch 'main' into fix_and_expand

    @florian-huber
    florian-huber committed Jul 12, 2024
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  2. relu --> leaky relu

    @florian-huber
    florian-huber committed Jul 12, 2024
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  3. update workflows

    @florian-huber
    florian-huber committed Jul 12, 2024
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  4. adapte tests

    @florian-huber
    florian-huber committed Jul 12, 2024
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  5. fix tests

    @florian-huber
    florian-huber committed Jul 12, 2024
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  6. exclude macos + Python 3.11 --> fix later

    @florian-huber
    florian-huber committed Jul 12, 2024
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  7. Update CHANGELOG.md

    @florian-huber
    florian-huber committed Jul 12, 2024
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Commits on Jul 13, 2024

  1. allow multiple spectra per validation inchikey

    @florian-huber
    florian-huber committed Jul 13, 2024
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  2. Merge branch 'fix_and_expand' of https://github.com/matchms/ms2deepscore 

     into fix_and_expand
    @florian-huber
    florian-huber committed Jul 13, 2024
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Commits on Jul 15, 2024

  1. try to fix rare error

    @florian-huber
    florian-huber committed Jul 15, 2024
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  2. linting and re-adding macos python 11 workflow

    @florian-huber
    florian-huber committed Jul 15, 2024
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Commits on Jul 16, 2024

  1. add tests for uncompiled numba functions --> test coverage

    @florian-huber
    florian-huber committed Jul 16, 2024
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Commits on Jul 22, 2024

  1. modify input/ouputs

    @florian-huber
    florian-huber committed Jul 22, 2024
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  2. add tensorboard and torchvision

    @florian-huber
    florian-huber committed Jul 22, 2024
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  3. add summary writer

    @florian-huber
    florian-huber committed Jul 22, 2024
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  4. fix

    @florian-huber
    florian-huber committed Jul 22, 2024
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Commits on Jul 23, 2024

  1. add parameter search function

    @florian-huber
    florian-huber committed Jul 23, 2024
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Commits on Jul 24, 2024

  1. fix folder structure of writer

    @florian-huber
    florian-huber committed Jul 24, 2024
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  2. fix folder naming

    @florian-huber
    florian-huber committed Jul 24, 2024
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  3. try fixing order issue

    @florian-huber
    florian-huber committed Jul 24, 2024
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Commits on Jul 25, 2024

  1. update time between trainings

    @florian-huber
    florian-huber committed Jul 25, 2024
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  2. fix import

    @florian-huber
    florian-huber committed Jul 25, 2024
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Commits on Jul 26, 2024

  1. split functions and avoid double computations in grid search

    @florian-huber
    florian-huber committed Jul 26, 2024
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  2. fix logic error

    @florian-huber
    florian-huber committed Jul 26, 2024
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Commits on Jul 29, 2024

  1. skip smart solution (for now)

    @florian-huber
    florian-huber committed Jul 29, 2024
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Commits on Aug 8, 2024

  1. Add relu to SettingsMS2Deepscore.py

    @niekdejonge
    niekdejonge committed Aug 8, 2024
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  2. Replace "lrelu" with setting.activation_function and revert test results

    @niekdejonge
    niekdejonge committed Aug 8, 2024
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  3. Merge pull request #228 from matchms/make_relu_a_setting 

    Make relu a setting
    @niekdejonge
    niekdejonge committed Aug 8, 2024
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  4. linting

    @niekdejonge
    niekdejonge committed Aug 8, 2024
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  5. linting

    @niekdejonge
    niekdejonge committed Aug 8, 2024
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