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[Dataset] Add peptides structural dataset in LRGB #6337

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merged 4 commits into from
Sep 21, 2023
Merged

[Dataset] Add peptides structural dataset in LRGB #6337

merged 4 commits into from
Sep 21, 2023

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paoxiaode
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Description

The peptides structural dataset based on DGLDataset
Related issue: #5352

Checklist

Please feel free to remove inapplicable items for your PR.

  • The PR title starts with [$CATEGORY] (such as [NN], [Model], [Doc], [Feature]])
  • I've leverage the tools to beautify the python and c++ code.
  • The PR is complete and small, read the Google eng practice (CL equals to PR) to understand more about small PR. In DGL, we consider PRs with less than 200 lines of core code change are small (example, test and documentation could be exempted).
  • All changes have test coverage
  • Code is well-documented
  • To the best of my knowledge, examples are either not affected by this change, or have been fixed to be compatible with this change
  • Related issue is referred in this PR

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Done a first pass, could you also add indexing in docs/source/api/python/dgl.data.rst?

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@rudongyu Fixed the problem in the code you mentioned, please help me to review it

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@rudongyu Fixed the problem in the code you mentioned, please help me to review it

I'm good with the other parts except that a dataset index item is required in docs/source/api/python/dgl.data.rst. You can proceed to merge this pr after adding that. Thanks for your work!

@frozenbugs frozenbugs merged commit f8c1b24 into dmlc:master Sep 21, 2023
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@paoxiaode paoxiaode deleted the LRGB branch September 21, 2023 02:39
DominikaJedynak pushed a commit to DominikaJedynak/dgl that referenced this pull request Mar 12, 2024
@paoxiaode @DominikaJedynak
[Dataset] Add peptides structural dataset in LRGB (dmlc#6337)
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@frozenbugs frozenbugs frozenbugs approved these changes

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