materialsvirtuallab / matgl

Graph deep learning library for materials
BSD 3-Clause "New" or "Revised" License
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Update Training a MEGNet Formation Energy Model with PyTorch Lightnin… #185

Closed 1152041831 closed 8 months ago

1152041831 commented 8 months ago

…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.

Summary

Major changes:

Todos

If this is work in progress, what else needs to be done?

Checklist

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install
shyuep commented 8 months ago

Thanks.