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Grover vocabulary builder #3281

Merged
merged 8 commits into from
Mar 21, 2023
Merged

Grover vocabulary builder #3281

merged 8 commits into from
Mar 21, 2023

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arunppsg
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Pull Request Template

Description

The pull request adds grover atom vocabulary builder and grover bond vocabulary builder and their corresponding tokenizers.

Type of change

Please check the option that is related to your PR.

  • New feature (non-breaking change which adds functionality)
  • 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 Mar 15, 2023
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@rbharath rbharath left a comment

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Mostly looking good but some requests for additional docs

deepchem/feat/vocabulary_builders/grover_vocab.py Outdated Show resolved Hide resolved
deepchem/feat/vocabulary_builders/grover_vocab.py Outdated Show resolved Hide resolved
docs/source/api_reference/featurizers.rst Show resolved Hide resolved
rbharath
rbharath reviewed Mar 17, 2023
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Getting close, but we still need some more work on the docs. I've left a couple of comments below with a few requests

docs/source/api_reference/featurizers.rst Outdated Show resolved Hide resolved
docs/source/api_reference/featurizers.rst Outdated Show resolved Hide resolved
rbharath
rbharath approved these changes Mar 20, 2023
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LGTM. Feel free to merge once CI looks good

@arunppsg arunppsg merged commit e764c69 into deepchem:master Mar 21, 2023
@arunppsg arunppsg deleted the grover-vocab branch April 11, 2023 09:20
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@rbharath rbharath rbharath approved these changes

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@arunppsg @rbharath