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Update pytorch-lightning #263

Merged
merged 39 commits into from
May 14, 2024
Merged

Update pytorch-lightning #263

merged 39 commits into from
May 14, 2024

Commits on Nov 17, 2023

  1. model version for Potential class is added

    @kenko911
    kenko911 committed Nov 17, 2023
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  2. model version for Potential class is modified

    @kenko911
    kenko911 committed Nov 17, 2023
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Commits on Nov 26, 2023

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Nov 26, 2023
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  2. Merge branch 'main' of https://github.com/kenko911/matgl

    @kenko911
    kenko911 committed Nov 26, 2023
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Commits on Dec 13, 2023

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Dec 13, 2023
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Commits on Feb 5, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Feb 5, 2024
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Commits on Feb 14, 2024

  1. Merge branch 'main' of https://github.com/kenko911/matgl

    @kenko911
    kenko911 committed Feb 14, 2024
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  2. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Feb 14, 2024
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  3. Merge branch 'main' of https://github.com/kenko911/matgl

    @kenko911
    kenko911 committed Feb 14, 2024
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Commits on Feb 16, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Feb 16, 2024
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  2. Merge branch 'main' of https://github.com/kenko911/matgl

    @kenko911
    kenko911 committed Feb 16, 2024
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  3. Enable the smooth version of Spherical Bessel function in TensorNet

    @kenko911
    kenko911 committed Feb 16, 2024
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  4. max_n, max_l for SphericalBessel radial basis functions are included … 

    …in TensorNet class
    @kenko911
    kenko911 committed Feb 16, 2024
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Commits on Feb 17, 2024

  1. adding united tests for improving the coverage score

    @kenko911
    kenko911 committed Feb 17, 2024
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Commits on Feb 18, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Feb 18, 2024
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Commits on Feb 19, 2024

  1. little clean up in _so3.py and so3.py

    @kenko911
    kenko911 committed Feb 19, 2024
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Commits on Feb 20, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Feb 20, 2024
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Commits on Mar 1, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Mar 1, 2024
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  2. remove unnecessary data storage in dgl graphs

    @kenko911
    kenko911 committed Mar 1, 2024
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Commits on Mar 3, 2024

  1. update pymatgen version to fix the bug

    @kenko911
    kenko911 committed Mar 3, 2024
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Commits on Mar 7, 2024

  1. refractor all include_states into include_state for consistency

    @kenko911
    kenko911 committed Mar 7, 2024
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  2. change include_states into include_state in test_graph_conv.py

    @kenko911
    kenko911 committed Mar 7, 2024
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  3. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Mar 7, 2024
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Commits on Mar 29, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Mar 29, 2024
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  2. Ensure the state attr from molecule graph is consistent with matgl.fl… 

    …oat_th and including linear layer in TensorNet to match the original implementations
    @kenko911
    kenko911 committed Mar 29, 2024
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Commits on Apr 1, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Apr 1, 2024
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  2. Fix the jupyter-notebook for M3GNet training

    @kenko911
    kenko911 committed Apr 1, 2024
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Commits on May 6, 2024

  1. update model version for Potential class

    @kenko911
    kenko911 committed May 6, 2024
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  2. included more united tests to improve code coverage

    @kenko911
    kenko911 committed May 6, 2024
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  3. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored May 6, 2024
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Commits on May 9, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored May 9, 2024
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  2. update pyproject.toml and requirements.txt to adapt dgl-2.x

    @kenko911
    kenko911 committed May 9, 2024
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  3. downgrade dgl to 2.1.0

    @kenko911
    kenko911 committed May 9, 2024
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Commits on May 12, 2024

  1. fixed the warning in _basis.py and increased more code coverage

    @kenko911
    kenko911 committed May 12, 2024
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  2. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored May 12, 2024
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  3. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored May 12, 2024
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  4. Improve more code coverage in _chgnet.py

    @kenko911
    kenko911 committed May 12, 2024
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Commits on May 14, 2024

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored May 14, 2024
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  2. update pytorch-lightning

    @kenko911
    kenko911 committed May 14, 2024
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