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Unified OCP Trainer #520

Merged
merged 67 commits into from
Jan 5, 2024
Merged

Unified OCP Trainer #520

merged 67 commits into from
Jan 5, 2024

Commits on Jul 18, 2023

  1. initial single trainer commit

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  2. more general evaluator

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  3. backwards tasks

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  4. debug config

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  5. predict support, evaluator cleanup

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  6. cleanup, remove hpo

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  7. loss bugfix, cleanup hpo

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  8. backwards compatability for old configs

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  9. backwards breaking fix

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  10. eval fix

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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  11. remove old imports

    @janiceblue @mshuaibii
    janiceblue authored and mshuaibii committed Jul 18, 2023
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  12. default for get task metrics

    @janiceblue @mshuaibii
    janiceblue authored and mshuaibii committed Jul 18, 2023
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  13. rebase cleanup

    @mshuaibii
    mshuaibii committed Jul 18, 2023
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Commits on Jul 19, 2023

  1. config refactor support

    @mshuaibii
    mshuaibii committed Jul 19, 2023
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  2. Merge branch 'main' into ocp_trainer

    @mshuaibii
    mshuaibii committed Jul 19, 2023
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  3. black

    @mshuaibii
    mshuaibii committed Jul 19, 2023
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Commits on Jul 20, 2023

  1. reorganize free_atoms

    @mshuaibii
    mshuaibii committed Jul 20, 2023
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  2. output config fix

    @mshuaibii
    mshuaibii committed Jul 20, 2023
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  3. config naming

    @mshuaibii
    mshuaibii committed Jul 20, 2023
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Commits on Jul 21, 2023

  1. support loss mean over all dimensions

    @janiceblue
    janiceblue committed Jul 21, 2023
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  2. config backwards support

    @mshuaibii
    mshuaibii committed Jul 21, 2023
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Commits on Jul 25, 2023

  1. equiformer can now run

    @janiceblue
    janiceblue committed Jul 25, 2023
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Commits on Jul 26, 2023

  1. add example equiformer config

    @janiceblue
    janiceblue committed Jul 26, 2023
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Commits on Jul 27, 2023

  1. handle arbitrary torch loss fns

    @mshuaibii
    mshuaibii committed Jul 27, 2023
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Commits on Aug 1, 2023

  1. correct primary metric def

    @mshuaibii
    mshuaibii committed Aug 1, 2023
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  2. update s2ef portion of OCP tutorial

    @mshuaibii
    mshuaibii committed Aug 1, 2023
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Commits on Aug 9, 2023

  1. add type annotations

    @mshuaibii
    mshuaibii committed Aug 9, 2023
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  2. cleanup

    @mshuaibii
    mshuaibii committed Aug 9, 2023
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  3. Type annotations

    @r-barnes
    r-barnes committed Aug 9, 2023
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  4. Abstract out _get_timestamp

    @r-barnes
    r-barnes committed Aug 9, 2023
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Commits on Aug 31, 2023

  1. don't double ids when saving prediction results

    @janiceblue
    janiceblue committed Aug 31, 2023
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Commits on Sep 7, 2023

  1. clip_grad_norm should be float

    @janiceblue
    janiceblue committed Sep 7, 2023
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Commits on Oct 27, 2023

  1. Merge branch 'main' into ocp_trainer

    @mshuaibii
    mshuaibii committed Oct 27, 2023
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  2. model compatibility

    @mshuaibii
    mshuaibii committed Oct 27, 2023
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  3. evaluator test fix

    @mshuaibii
    mshuaibii committed Oct 27, 2023
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  4. lint

    @mshuaibii
    mshuaibii committed Oct 27, 2023
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  5. remove old models

    @mshuaibii
    mshuaibii committed Oct 27, 2023
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Commits on Nov 2, 2023

  1. pass calculator test

    @mshuaibii
    mshuaibii committed Nov 2, 2023
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Commits on Nov 3, 2023

  1. remove DP, cleanup

    @mshuaibii
    mshuaibii committed Nov 3, 2023
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  2. remove comments

    @mshuaibii
    mshuaibii committed Nov 3, 2023
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  3. eqv2 support

    @mshuaibii
    mshuaibii committed Nov 3, 2023
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  4. Merge branch 'main' into ocp_trainer

    @mshuaibii
    mshuaibii authored Nov 3, 2023
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  5. odac energy trainer merge fix

    @mshuaibii
    mshuaibii committed Nov 3, 2023
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Commits on Nov 6, 2023

  1. is2re support

    @mshuaibii
    mshuaibii committed Nov 6, 2023
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  2. cleanup

    @mshuaibii
    mshuaibii committed Nov 6, 2023
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  3. config cleanup

    @mshuaibii
    mshuaibii committed Nov 6, 2023
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Commits on Nov 7, 2023

  1. oc22 support

    @mshuaibii
    mshuaibii committed Nov 7, 2023
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  2. introduce collater to handle otf_graph arg

    @mshuaibii
    mshuaibii committed Nov 7, 2023
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  3. organize methods

    @mshuaibii
    mshuaibii committed Nov 7, 2023
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  4. include parent in targets

    @mshuaibii
    mshuaibii committed Nov 7, 2023
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  5. shape flexibility

    @mshuaibii
    mshuaibii committed Nov 7, 2023
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Commits on Nov 8, 2023

  1. cleanup debug lines

    @mshuaibii
    mshuaibii committed Nov 8, 2023
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  2. cleanup

    @mshuaibii
    mshuaibii committed Nov 8, 2023
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Commits on Nov 14, 2023

  1. normalizer bugfix for new configs

    @mshuaibii
    mshuaibii committed Nov 14, 2023
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Commits on Nov 17, 2023

  1. calculator normalization fix, backwards support for ckpt loads

    @mshuaibii
    mshuaibii committed Nov 17, 2023
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Commits on Dec 11, 2023

  1. New weight_decay config -- defaults in BaseModel, extendable by other… 

    …s (e.g. EqV2)
    @abhshkdz
    abhshkdz committed Dec 11, 2023
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  2. Doc update

    @abhshkdz
    abhshkdz committed Dec 11, 2023
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  3. Throw a warning instead of a hard error for optim.weight_decay

    @abhshkdz
    abhshkdz committed Dec 11, 2023
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  4. EqV2 readme update

    @abhshkdz
    abhshkdz committed Dec 11, 2023
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  5. Config update

    @abhshkdz
    abhshkdz committed Dec 11, 2023
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Commits on Dec 20, 2023

  1. don't need transform on inference lmdbs with no ground truth

    @janiceblue
    janiceblue committed Dec 20, 2023
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Commits on Jan 4, 2024

  1. Merge branch 'main' into ocp_trainer

    @mshuaibii
    mshuaibii committed Jan 4, 2024
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  2. remove debug configs

    @mshuaibii
    mshuaibii committed Jan 4, 2024
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  3. ocp-2.0 example.yml

    @mshuaibii
    mshuaibii committed Jan 4, 2024
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  4. take out ocpdataparallel from fit.py

    @janiceblue
    janiceblue committed Jan 4, 2024
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Commits on Jan 5, 2024

  1. linter

    @janiceblue
    janiceblue committed Jan 5, 2024
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  2. update tutorials

    @mshuaibii
    mshuaibii committed Jan 5, 2024
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