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PNA layers #3392

Merged
merged 11 commits into from
May 18, 2023
Merged

PNA layers #3392

merged 11 commits into from
May 18, 2023

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tonydavis629
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@tonydavis629 tonydavis629 commented May 12, 2023 •
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Description

I know this PR is long but it's mostly docstrings! This is the 2nd PR for Principal Neighborhood Aggregation layers. I plan to write the docs when the ModularTorchModel class is written.

Type of change

Please check the option that is related to your PR.

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
    • In this case, we recommend to discuss your modification on GitHub issues before creating the PR
  • Documentations (modification for documents)

Checklist

  • My code follows the style guidelines of this project
  • Run yapf -i <modified file> and check no errors (yapf version must be 0.32.0)
  • Run mypy -p deepchem and check no errors
  • Run flake8 <modified file> --count and check no errors
  • Run python -m doctest <modified file> and check no errors
  • I have performed a self-review of my own code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation
  • I have added tests that prove my fix is effective or that my feature works
  • New unit tests pass locally with my changes
  • I have checked my code and corrected any misspellings

rbharath
rbharath reviewed May 12, 2023
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Looks mostly good, let's break into 2 PRs, one for utils, and one for the layers themselves.

rbharath
rbharath reviewed May 16, 2023
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Will need to wait for rebase but not seeing anything jumping out on review

rbharath
rbharath approved these changes May 18, 2023
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LGTM

@rbharath rbharath merged commit 20d38f0 into deepchem:master May 18, 2023
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@rbharath rbharath rbharath approved these changes

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@tonydavis629 @rbharath