Update Training a MEGNet Formation Energy Model with PyTorch Lightnin… #185
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…g.ipynb Bug fix: Resolved parameter input issue in MEGNetDataset from v0.8.3 and higher versions Description: This pull request addresses the problem of parsing input parameters when constructing MEGNetDataset in this scenario. The issue arose due to the refactoring of MEGNetDataset in v0.8.3 and higher versions. The modifications made here ensure compatibility with the syntax of the new version. Signed-off-by: Ming <55485031+1152041831@users.noreply.github.com>
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…g.ipynb
Bug fix: Resolved parameter input issue in MEGNetDataset from v0.8.3 and higher versions Description:
This pull request addresses the problem of parsing input parameters when constructing MEGNetDataset in this scenario. The issue arose due to the refactoring of MEGNetDataset in v0.8.3 and higher versions. The modifications made here ensure compatibility with the syntax of the new version.
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Major changes:
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ruff.mypy.duecredit@due.dcitedecorators to reference relevant papers by DOI (example)Tip: Install
pre-commithooks to auto-check types and linting before every commit: