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Refactoring changes in the training routine #243

Merged
merged 37 commits into from
Aug 31, 2024
Merged

Refactoring changes in the training routine #243

merged 37 commits into from
Aug 31, 2024

Commits on Aug 21, 2024

  1. small modifications

    @wiederm
    wiederm committed Aug 21, 2024
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  2. add batchsize

    @wiederm
    wiederm committed Aug 21, 2024
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Commits on Aug 22, 2024

  1. update

    @wiederm
    wiederm committed Aug 22, 2024
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  2. Merge branch 'main' into ref-training

    @wiederm
    wiederm authored Aug 22, 2024
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  3. update optimizer, fix bug

    @wiederm
    wiederm committed Aug 22, 2024
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  4. Merge branch 'ref-training' of https://github.com/choderalab/modelforge… 

    … into ref-training
    @wiederm
    wiederm committed Aug 22, 2024
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  5. use custom torchmetric to sync accross differnt nodes

    @wiederm
    wiederm committed Aug 22, 2024
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Commits on Aug 23, 2024

  1. make logging consistent and log also loss with torchmetric (necessary… 

    … for synchronized training)
    @wiederm
    wiederm committed Aug 23, 2024
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  2. skip if ANI and SPICE

    @wiederm
    wiederm committed Aug 23, 2024
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  3. include force training test

    @wiederm
    wiederm committed Aug 23, 2024
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  4. still issues with mutliple GPUs

    @wiederm
    wiederm committed Aug 23, 2024
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  5. make loss tensor's stride contiguous

    @wiederm
    wiederm committed Aug 23, 2024
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  6. sync log

    @wiederm
    wiederm committed Aug 23, 2024
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Commits on Aug 24, 2024

  1. stride is an issue in the backward pass through the forces, this m mi… 

    …ght fix it
    @wiederm
    wiederm committed Aug 24, 2024
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  2. still stride issue

    @wiederm
    wiederm committed Aug 24, 2024
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  3. add stride hook for backward

    @wiederm
    wiederm committed Aug 24, 2024
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  4. dicst as module output for stride

    @wiederm
    wiederm committed Aug 24, 2024
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Commits on Aug 25, 2024

  1. avoid saving grad in val/test routine

    @wiederm
    wiederm committed Aug 25, 2024
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  2. only linting changes

    @wiederm
    wiederm committed Aug 25, 2024
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  3. fix loss test

    @wiederm
    wiederm committed Aug 25, 2024
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Commits on Aug 26, 2024

  1. fix tests

    @wiederm
    wiederm committed Aug 26, 2024
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Commits on Aug 27, 2024

  1. Merge branch 'main' into ref-training

    @wiederm
    wiederm authored Aug 27, 2024
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  2. decorator for method locking

    @wiederm
    wiederm committed Aug 27, 2024
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  3. lock

    @wiederm
    wiederm committed Aug 27, 2024
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  4. typo

    @wiederm
    wiederm committed Aug 27, 2024
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  5. correct lock file mode

    @wiederm
    wiederm committed Aug 27, 2024
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  6. linting

    @wiederm
    wiederm committed Aug 27, 2024
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  7. fix test failures

    @wiederm
    wiederm committed Aug 27, 2024
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  8. reasonable defaults for regeneration

    @wiederm
    wiederm committed Aug 27, 2024
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  9. ha, didn't think about that

    @wiederm
    wiederm committed Aug 27, 2024
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  10. update parameter name

    @wiederm
    wiederm committed Aug 27, 2024
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Commits on Aug 29, 2024

  1. detach metric

    @wiederm
    wiederm committed Aug 29, 2024
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Commits on Aug 31, 2024

  1. Having test_train_lightning skip sake+forces when on github CI becaus… 

    …e it allocates too much money
    @chrisiacovella
    chrisiacovella committed Aug 31, 2024
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  2. fixed captitalization error, test should now skip

    @chrisiacovella
    chrisiacovella committed Aug 31, 2024
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  3. in testing I removed the check to see if in github actions. This is r… 

    …esolved.
    @chrisiacovella
    chrisiacovella committed Aug 31, 2024
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  4. Merge branch 'main' into ref-training

    @wiederm
    wiederm authored Aug 31, 2024
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  5. update weights

    @wiederm
    wiederm committed Aug 31, 2024
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