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MzTab Validation #362

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merged 42 commits into from
Aug 7, 2024
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f8486f9
implemented integer charce to comply with mztab standard
Lilferrit Jun 20, 2024
9792584
updated changelog
Lilferrit Jun 25, 2024
9ab88c2
updated changelog
Lilferrit Jun 25, 2024
f8c562f
fixed changelog entry
Lilferrit Jun 25, 2024
5879b0a
Update paper reference (#361)
bittremieux Aug 2, 2024
27327fe
merge with dev
Lilferrit Aug 2, 2024
474717d
implemented jmztab validation steps
Lilferrit Aug 2, 2024
8130649
removed unecessary status code checks
Lilferrit Aug 2, 2024
66c3d56
tiny model checkpoints
Lilferrit Aug 2, 2024
72ebdce
upgrade codecove to v4
Lilferrit Aug 5, 2024
ee74b92
fixed java command
Lilferrit Aug 5, 2024
13e9bec
codecov fix
Lilferrit Aug 5, 2024
c96040e
Merge branch 'codecov-fix' into 322-mztab-validation
Lilferrit Aug 5, 2024
6fd0d83
seperated JMZtab validator command
Lilferrit Aug 5, 2024
d9e4251
syntax error fix
Lilferrit Aug 5, 2024
52933af
grep exit status handling
Lilferrit Aug 5, 2024
e4a9d46
status code logic
Lilferrit Aug 5, 2024
84f373f
export grep status code
Lilferrit Aug 5, 2024
24a0dbc
syntax error
Lilferrit Aug 5, 2024
24aca20
moved mzTab validation functionality to sh and bat scripts
Lilferrit Aug 5, 2024
dc3ca5f
Generate new screengrabs with rich-codex
github-actions[bot] Aug 5, 2024
5376314
git file permissions
Lilferrit Aug 5, 2024
178e07f
Merge branch '322-mztab-validation' of github.com:Noble-Lab/casanovo …
Lilferrit Aug 5, 2024
3de35aa
Generate new screengrabs with rich-codex
github-actions[bot] Aug 5, 2024
6c18110
platform specific validation
Lilferrit Aug 5, 2024
bf96267
Merge branch '322-mztab-validation' of github.com:Noble-Lab/casanovo …
Lilferrit Aug 5, 2024
a74d41a
Generate new screengrabs with rich-codex
github-actions[bot] Aug 5, 2024
0cb6617
error condition test
Lilferrit Aug 5, 2024
b0ab7bb
Merge branch '322-mztab-validation' of github.com:Noble-Lab/casanovo …
Lilferrit Aug 5, 2024
f6e5264
fail output fix
Lilferrit Aug 5, 2024
0cfe299
remove test condition
Lilferrit Aug 5, 2024
b85a753
eliminate redundant output
Lilferrit Aug 5, 2024
e9753c9
Generate new screengrabs with rich-codex
github-actions[bot] Aug 5, 2024
5348d32
success output
Lilferrit Aug 5, 2024
30718f8
Merge branch '322-mztab-validation' of github.com:Noble-Lab/casanovo …
Lilferrit Aug 5, 2024
70747b5
Generate new screengrabs with rich-codex
github-actions[bot] Aug 5, 2024
b4398e2
remove if exists
Lilferrit Aug 5, 2024
8b6d41e
Merge branch '322-mztab-validation' of github.com:Noble-Lab/casanovo …
Lilferrit Aug 5, 2024
ead0b9d
Implemented jmzTab mzTab validation unit test
Lilferrit Aug 6, 2024
8dfb786
Merge branch 'dev' into 322-mztab-validation
Lilferrit Aug 6, 2024
169bac4
Generate new screengrabs with rich-codex
github-actions[bot] Aug 6, 2024
e6f9185
minor style change
Lilferrit Aug 7, 2024
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9 changes: 7 additions & 2 deletions .github/workflows/tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,11 @@ jobs:
uses: actions/setup-python@v5
with:
python-version: "3.10"

- name: Set up Java
uses: actions/setup-java@v3
with:
distribution: 'zulu'
java-version: '22'
- name: Install dependencies
run: |
python -m pip install --upgrade pip
Expand All @@ -42,7 +46,8 @@ jobs:
run: |
pytest --cov=casanovo tests/
- name: Upload coverage to codecov
uses: codecov/codecov-action@v3
uses: codecov/codecov-action@v4
with:
token: ${{ secrets.CODECOV_TOKEN }}
fail_ci_if_error: true

2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@
If you use Casanovo in your work, please cite the following publications:

- Yilmaz, M., Fondrie, W. E., Bittremieux, W., Oh, S. & Noble, W. S. *De novo* mass spectrometry peptide sequencing with a transformer model. in *Proceedings of the 39th International Conference on Machine Learning - ICML '22* vol. 162 25514–25522 (PMLR, 2022). [https://proceedings.mlr.press/v162/yilmaz22a.html](https://proceedings.mlr.press/v162/yilmaz22a.html)
- Yilmaz, M., Fondrie, W. E., Bittremieux, W., Nelson, R., Ananth, V., Oh, S. & Noble, W. S. Sequence-to-sequence translation from mass spectra to peptides with a transformer model. in *bioRxiv* (2023). [doi:10.1101/2023.01.03.522621](https://doi.org/10.1101/2023.01.03.522621)
- Yilmaz, M., Fondrie, W. E., Bittremieux, W., Melendez, C.F., Nelson, R., Ananth, V., Oh, S. & Noble, W. S. Sequence-to-sequence translation from mass spectra to peptides with a transformer model. in *Nature Communications* **15**, 6427 (2024). [doi:10.1038/s41467-024-49731-x](https://doi.org/10.1038/s41467-024-49731-x)

## Documentation

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