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Masking tasks for GNN Modular #3350
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Requests for more comments/docstrings below. I will do a second review pass once those are in
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Nothing major jumping out I think. Can you respond to the open comments and I'll do a final review?
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LGTM
Description
Fix #(issue)
Implements atom and edge masking tasks for GNNModular. Also implements an EgoGraphFeaturizer which is used for masking tasks in Strategies for Graph Pretraining by Hu et al.
Type of change
Please check the option that is related to your PR.
Checklist
yapf -i <modified file>
and check no errors (yapf version must be 0.32.0)mypy -p deepchem
and check no errorsflake8 <modified file> --count
and check no errorspython -m doctest <modified file>
and check no errors