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Porting of MolGANConvolutionLayer from tensorflow to pytorch #3444

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merged 39 commits into from
Jul 3, 2023

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shreyasvinaya
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@shreyasvinaya shreyasvinaya commented Jun 26, 2023

Description

Fix #(issue)

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

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@rbharath rbharath left a comment

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A quick reminder to make sure you clean up files not necessary for a PR before putting the PR up. I have some other cleanup requests below

deepchem/models/torch_models/molgan.py Outdated Show resolved Hide resolved
deepchem/models/torch_models/tests/test_molgan_layers.py Outdated Show resolved Hide resolved
deepchem/models/torch_models/tests/test_molgan_layers.py Outdated Show resolved Hide resolved
deepchem/models/torch_models/tests/test_molgan_model.py Outdated Show resolved Hide resolved
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@rbharath rbharath left a comment

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Some test improvements and additional annotations needed

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@rbharath rbharath left a comment

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Almost ready; just need flake8/comment to be fixed

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@rbharath rbharath left a comment

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Looks good, just need tests to pass

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LGTM

@rbharath rbharath merged commit 0e0cdcc into deepchem:master Jul 3, 2023
24 of 33 checks passed
@shreyasvinaya shreyasvinaya deleted the week3 branch March 24, 2024 12:12
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2 participants