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Feat: numpy pairtab model #3212

Merged
merged 58 commits into from
Feb 4, 2024
Merged

Feat: numpy pairtab model #3212

merged 58 commits into from
Feb 4, 2024

Commits on Jan 28, 2024

  1. feat: add pair table model to pytorch

    Anyang Peng authored and Anyang Peng committed Jan 28, 2024
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  3. fix: typo

    Anyang Peng authored and Anyang Peng committed Jan 28, 2024
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  4. fix: typo

    Anyang Peng authored and Anyang Peng committed Jan 28, 2024
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  5. Merge branch 'devel' into devel

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  6. fix: update ruct extrapolation

    Anyang Peng authored and Anyang Peng committed Jan 28, 2024
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  8. fix: update allclose precision

    Anyang Peng authored and Anyang Peng committed Jan 28, 2024
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Commits on Jan 29, 2024

  1. Merge branch 'devel' into devel

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  2. Merge branch 'devel' into devel

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  3. Merge branch 'devel' into devel

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  4. Merge branch 'devel' into devel

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  5. chore: refactor common method to PairTab

    Anyang Peng authored and Anyang Peng committed Jan 29, 2024
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  7. fix: update unit tests

    Anyang Peng authored and Anyang Peng committed Jan 29, 2024
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  9. fix: revert padding zero mask change

    Anyang Peng authored and Anyang Peng committed Jan 29, 2024
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Commits on Jan 30, 2024

  1. Merge branch 'devel' into devel

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  2. Merge branch 'devel' into devel

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  3. feat: redo extrapolation with cubic spline for smoothness

    Anyang Peng authored and Anyang Peng committed Jan 30, 2024
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  5. Merge branch 'devel' into devel

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  6. chore: refactor _make_data in PairTab

    Anyang Peng authored and Anyang Peng committed Jan 30, 2024
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  8. chore: move file

    Anyang Peng authored and Anyang Peng committed Jan 30, 2024
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  9. Merge branch 'devel' into devel

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Commits on Jan 31, 2024

  1. Merge branch 'devel' into devel

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  2. chore: refactor extrapolation code

    Anyang Peng authored and Anyang Peng committed Jan 31, 2024
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  4. Merge branch 'devel' into devel

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Commits on Feb 1, 2024

  1. feat: add zbl weighted model

    Anyang Peng authored and Anyang Peng committed Feb 1, 2024
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  2. Merge branch 'deepmodeling:devel' into devel

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  3. feat: add serialize and deserialize to pt pairtab

    Anyang Peng authored and Anyang Peng committed Feb 1, 2024
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  5. chore: remove irrelevant files

    Anyang Peng authored and Anyang Peng committed Feb 1, 2024
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  6. feat: add numpy version

    Anyang Peng authored and Anyang Peng committed Feb 1, 2024
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Commits on Feb 2, 2024

  1. fix: redo pairtab pt serialization

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  3. feat: test pairtabmodel numpy version

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  5. fix: precommit

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  6. fix: precommit

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  8. chore: refactor code

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  9. fix: at @variables key to serialize

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  11. fix: import

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  12. Merge remote-tracking branch 'upstream/devel' into feat/numpy_pairtab… 

    …_model
    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  13. Merge branch 'devel' into feat/numpy_pairtab_model

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  14. fix: rename method

    Anyang Peng authored and Anyang Peng committed Feb 2, 2024
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  15. fix: import

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Commits on Feb 3, 2024

  1. Merge branch 'devel' into feat/numpy_pairtab_model

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Commits on Feb 4, 2024

  1. Merge branch 'devel' into feat/numpy_pairtab_model

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  2. fix: change input output shape and move UTs

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  4. fix: array type

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