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LLPR improvements #307

Merged
merged 51 commits into from
Oct 25, 2024
Merged

LLPR improvements #307

merged 51 commits into from
Oct 25, 2024

Commits on Jun 3, 2024

  1. Try to soft reset

    @frostedoyster
    frostedoyster committed Jun 3, 2024
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Commits on Jun 4, 2024

  1. Eliminate old train file for SOAP-BPNN

    @frostedoyster
    frostedoyster committed Jun 4, 2024
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Commits on Jun 6, 2024

  1. Merge branch 'main' into llpr

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    frostedoyster authored Jun 6, 2024
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Commits on Jun 12, 2024

  1. Merge branch 'main' into llpr

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    frostedoyster authored Jun 12, 2024
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Commits on Jun 13, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jun 13, 2024
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  2. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jun 13, 2024
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Commits on Jun 15, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jun 15, 2024
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  2. Update branch

    @frostedoyster
    frostedoyster committed Jun 15, 2024
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  3. Escape quotation marks

    @frostedoyster
    frostedoyster committed Jun 15, 2024
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Commits on Jun 18, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jun 18, 2024
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  2. Make torchscriptable

    @frostedoyster
    frostedoyster committed Jun 18, 2024
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Commits on Jun 25, 2024

  1. Update LLPR example

    @frostedoyster
    frostedoyster committed Jun 25, 2024
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Commits on Jun 26, 2024

  1. Update and document

    @frostedoyster
    frostedoyster committed Jun 26, 2024
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Commits on Jun 27, 2024

  1. Finish LLPR example

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  2. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jun 27, 2024
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  3. Linter

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  4. Merge branch 'llpr' of https://github.com/lab-cosmo/metatrain into llpr

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  5. Tests

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  6. Test more

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  7. More robust sampler

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  8. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jun 27, 2024
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  9. Incorporate comments

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  10. Merge branch 'llpr' of https://github.com/lab-cosmo/metatrain into llpr

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  11. Set seed for tests

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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  12. Remove stray copy-paste

    @frostedoyster
    frostedoyster committed Jun 27, 2024
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Commits on Jul 4, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster committed Jul 4, 2024
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  2. Pseudo-Hessian calculation of the covariance

    @frostedoyster
    frostedoyster committed Jul 4, 2024
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Commits on Jul 8, 2024

  1. Fix non-torchscriptable LLPR module

    @frostedoyster
    frostedoyster committed Jul 8, 2024
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  2. Remove unnecessary check

    @frostedoyster
    frostedoyster committed Jul 8, 2024
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Commits on Jul 11, 2024

  1. Clean up after pseudo-Hessian calculation

    @frostedoyster
    frostedoyster committed Jul 11, 2024
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  2. Fix some more bugs

    @frostedoyster
    frostedoyster committed Jul 11, 2024
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Commits on Jul 15, 2024

  1. Detach

    @frostedoyster
    frostedoyster committed Jul 15, 2024
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  2. Merge branch 'llpr-torchscript' into llpr

    @frostedoyster
    frostedoyster committed Jul 15, 2024
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Commits on Jul 19, 2024

  1. Add dtypes, lint

    @frostedoyster
    frostedoyster committed Jul 19, 2024
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  2. Move example

    @frostedoyster
    frostedoyster committed Jul 19, 2024
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  3. Fix small issue

    @frostedoyster
    frostedoyster committed Jul 19, 2024
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  4. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jul 19, 2024
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  5. Revert some changes

    @frostedoyster
    frostedoyster committed Jul 19, 2024
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  6. Fix stuff

    @frostedoyster
    frostedoyster committed Jul 19, 2024
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  7. Update to new changes in main

    @frostedoyster
    frostedoyster committed Jul 19, 2024
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Commits on Jul 20, 2024

  1. Add test for LLPR pseudo-Hessian

    @frostedoyster
    frostedoyster committed Jul 20, 2024
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Commits on Jul 22, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Jul 22, 2024
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Commits on Jul 24, 2024

  1. Merge branch 'main' into llpr

    @PicoCentauri
    PicoCentauri authored Jul 24, 2024
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Commits on Aug 5, 2024

  1. Update examples/programmatic/llpr_forces/force_llpr.py

    @frostedoyster
    frostedoyster authored Aug 5, 2024
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  2. Avoid memory issues when calibrating

    @frostedoyster
    frostedoyster authored Aug 5, 2024
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  3. Update examples/programmatic/llpr_forces/force_llpr.py

    @frostedoyster
    frostedoyster authored Aug 5, 2024
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Commits on Oct 3, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Oct 3, 2024
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  2. More documentation of parameters for pseudo-Hessian calculation

    @frostedoyster
    frostedoyster committed Oct 3, 2024
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  3. Update dataset call in LLPR test

    @frostedoyster
    frostedoyster committed Oct 3, 2024
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Commits on Oct 14, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Oct 14, 2024
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Commits on Oct 17, 2024

  1. Merge branch 'main' into llpr

    @frostedoyster
    frostedoyster authored Oct 17, 2024
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