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experiment/chgnet#324

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timurbazhirov wants to merge 2 commits into
experiment/sevennetfrom
experiment/chgnet
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experiment/chgnet#324
timurbazhirov wants to merge 2 commits into
experiment/sevennetfrom
experiment/chgnet

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@timurbazhirov timurbazhirov commented May 20, 2026

  • feat: add CHGNet support for Pyodide/JupyterLite
  • docs: add CHGNet build instructions to packages README

@timurbazhirov
feat: add CHGNet support for Pyodide/JupyterLite
8bb079b 
- Add chgnet-0.3.8 wheel (stripped Cython, model bundled, 4.3MB)
- Add patch_chgnet_deps: stubs nvidia_smi, Cython, palettable
- Add CHGNet package group to config.yml
- Add relax_structure_with_chgnet.ipynb notebook
- Add Playwright test (all 9 cells pass)

CHGNet uses pure PyTorch loading (state_dict, no JIT) and
pymatgen for neighbor lists (no DGL/torch_geometric).
The cygraph.so C extension automatically falls back to
Python 'legacy' mode in Pyodide.
@timurbazhirov
docs: add CHGNet build instructions to packages README
d0c5a98
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review-notebook-app Bot commented May 20, 2026

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coderabbitai Bot commented May 20, 2026

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