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Remove unnecessary data storage from dgl graphs in MGLDataset #236
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…in TensorNet class
The only unit test fails coming from test_entrypoint in test_cif.py. This is strange that I tested it with my local machine using pymatgen 2024.2.8 and it passed. It seems the issues come from materialsproject/pymatgen#3664 |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #236 +/- ##
=======================================
Coverage 98.79% 98.80%
=======================================
Files 33 33
Lines 2749 2750 +1
=======================================
+ Hits 2716 2717 +1
Misses 33 33 ☔ View full report in Codecov by Sentry. |
I just updated the latest version of pymatgen and now it works!! |
Summary
Remove unnecessary data storage from dgl graphs in MGLDataset
Checklist
ruff
.mypy
.duecredit
@due.dcite
decorators to reference relevant papers by DOI (example)Tip: Install
pre-commit
hooks to auto-check types and linting before every commit: