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add GraphData subgraph, shortest length #3373

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merged 2 commits into from
Apr 28, 2023

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tonydavis629
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Description

Adds in a graphdata.subgraph method to extract subgraphs from a graphdata object, and a shortest path length utility function to find the shortest distances of a root node to nodes at a specified maximum distance.

Type of change

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  • 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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Looks good, but we have some yapf errors. Feel free to merge in once those are addressed

@tonydavis629
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Maybe one day I'll understand why my yapf 0.32.0 is different from the CI's yapf 0.32.0, but not today.

@tonydavis629 tonydavis629 merged commit 49a2195 into deepchem:master Apr 28, 2023
23 of 33 checks passed
@tonydavis629 tonydavis629 deleted the gnn_tools branch April 28, 2023 13:40
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2 participants