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pinder-org / pinder

PINDER: The Protein INteraction Dataset and Evaluation Resource
https://pinder-org.github.io/pinder/
Apache License 2.0
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fix: add default option to fallback to holo monomers in PPIDataset #11

Closed danielkovtun closed 3 months ago

danielkovtun commented 3 months ago

Introduces an option (default True) to PPIDataset torch geometric dataset to fallback to holo monomers if the user-specified monomer1/2 are not available for the PinderSystem being loaded.

Closes #10

codecov[bot] commented 3 months ago

Codecov Report

Attention: Patch coverage is 57.14286% with 6 lines in your changes missing coverage. Please review.

Files Patch % Lines
src/pinder-core/pinder/core/loader/geodata.py 0.00% 4 Missing and 2 partials :warning:
Files Coverage Δ
src/pinder-core/pinder/core/index/system.py 81.48% <100.00%> (+0.07%) :arrow_up:
src/pinder-core/pinder/core/loader/structure.py 84.36% <100.00%> (+0.04%) :arrow_up:
src/pinder-data/pinder/data/pipeline/tasks.py 64.70% <ø> (-2.29%) :arrow_down:
src/pinder-core/pinder/core/loader/geodata.py 78.31% <0.00%> (-6.11%) :arrow_down:

... and 7 files with indirect coverage changes