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Uncertainty #59

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Uncertainty #59

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Commits on Apr 18, 2024

  1. fix cluster issue gpus-per-task

    @AlexDuvalinho
    AlexDuvalinho committed Apr 18, 2024
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  2. new yaml configs

    @AlexDuvalinho
    AlexDuvalinho committed Apr 18, 2024
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  3. update path trained gnn model

    @AlexDuvalinho
    AlexDuvalinho committed Apr 18, 2024
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  4. fa_frames => fa_method

    @AlexDuvalinho
    AlexDuvalinho committed Apr 18, 2024
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  5. skip_co = concat is not possible

    @AlexDuvalinho
    AlexDuvalinho committed Apr 18, 2024
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Commits on Apr 19, 2024

  1. Merge only relevant changed from disconnected_gnn branch, to run depf… 

    …aenet
    @AlexDuvalinho
    AlexDuvalinho committed Apr 19, 2024
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  2. remove edge_embed_type

    @AlexDuvalinho
    AlexDuvalinho committed Apr 19, 2024
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  3. create deup-depfaenet, add dropout_lin, modif class names

    @AlexDuvalinho
    AlexDuvalinho committed Apr 19, 2024
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  4. add q

    @AlexDuvalinho
    AlexDuvalinho committed Apr 19, 2024
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  5. fix forward of output block depfaenet

    @AlexDuvalinho
    AlexDuvalinho committed Apr 19, 2024
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Commits on Apr 23, 2024

  1. new model checkpoints to create deup-dataset

    @AlexDuvalinho
    AlexDuvalinho committed Apr 23, 2024
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  2. argparse deup_dataset + comments

    @AlexDuvalinho
    AlexDuvalinho committed Apr 23, 2024
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Commits on Apr 24, 2024

  1. fix chkpt_path + edge case error + new configs

    @AlexDuvalinho
    AlexDuvalinho committed Apr 24, 2024
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  2. adapt configs for v0 deup-faenet training on deup-dataset

    @AlexDuvalinho
    AlexDuvalinho committed Apr 24, 2024
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Commits on Apr 25, 2024

  1. fix module load

    @ginihumer
    ginihumer committed Apr 25, 2024
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  2. return hidden state in wrapper

    @ginihumer
    ginihumer committed Apr 25, 2024
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  3. scatter q in energy_forward

    @vict0rsch
    vict0rsch committed Apr 25, 2024
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  4. fix configs for depfaenet/faenet fine-tuning

    @AlexDuvalinho
    AlexDuvalinho committed Apr 25, 2024
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Commits on Apr 26, 2024

  1. quickfixes

    @ginihumer
    ginihumer committed Apr 26, 2024
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  2. update configs deup-depfaenet

    @AlexDuvalinho
    AlexDuvalinho committed Apr 26, 2024
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  3. test use deup-dataset in an active learning framework

    @AlexDuvalinho
    AlexDuvalinho committed Apr 26, 2024
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  4. Merge branch 'uncertainty-depfaenet' of https://github.com/RolnickLab… 

    …/ocp into uncertainty-depfaenet
    @AlexDuvalinho
    AlexDuvalinho committed Apr 26, 2024
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  5. Merge pull request #61 from RolnickLab/ch/develop 

    quickfixes
    @AlexDuvalinho
    AlexDuvalinho authored Apr 26, 2024
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  6. Merge pull request #60 from RolnickLab/uncertainty-depfaenet 

    Create DEUP-DepFAENet
    @AlexDuvalinho
    AlexDuvalinho authored Apr 26, 2024
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Commits on May 17, 2024

  1. deupdepfaenet configs

    @AlexDuvalinho
    AlexDuvalinho committed May 17, 2024
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  2. fix issues with q + enforce graph-level deup-dataset

    @AlexDuvalinho
    AlexDuvalinho committed May 17, 2024
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Commits on May 20, 2024

  1. random instead of randon in yaml

    @AlexDuvalinho
    AlexDuvalinho committed May 20, 2024
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  2. random, not stochastic

    @AlexDuvalinho
    AlexDuvalinho committed May 20, 2024
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Commits on May 21, 2024

  1. signnet analysis (workshop submission)

    @AlexDuvalinho
    AlexDuvalinho committed May 21, 2024
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Commits on Oct 31, 2024

  1. denormalise predictions

    @AlexDuvalinho
    AlexDuvalinho committed Oct 31, 2024
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