plinder-org / plinder

Protein Ligand INteraction Dataset and Evaluation Resource
https://plinder.sh
Apache License 2.0
163 stars 9 forks source link

Publish `plinder` on PyPI for easier installation #43

Closed padix-key closed 2 months ago

padix-key commented 2 months ago

This PR adds a CI step that publishes the package on PyPI and adopts the docs accordingly.

github-actions[bot] commented 2 months ago

Coverage report

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FileStatementsMissingCoverageCoverage
(new stmts)
Lines missing
  src/plinder/core/utils
  config.py
  src/plinder/data
  smallmolecules.py
  src/plinder/eval
  __init__.py
  src/plinder/eval/docking
  stratify_test_set.py
  write_scores.py
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