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initial config for partial conv in JET of esm2 in bionemo2#428

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dorotat/esm2-partial-conv-jet-bionemo2
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initial config for partial conv in JET of esm2 in bionemo2#428
dorotat-nv wants to merge 24 commits into
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dorotat/esm2-partial-conv-jet-bionemo2

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@dorotat-nv
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@dorotat-nv dorotat-nv commented Nov 13, 2024

Adding the first config of partial convergence training in JET for ESM2 model in BioNeMo 2

The JET pipeline can be submitted for this config by running

python jet/cli.py submit --root-dir ci/benchmarks/partial-conv/ --manifest-template-config-file <PATH_TO_CI_REPO>/jet/manifest_template_config.yaml

where PATH_TO_CI_REPO is an absolute path to the CI repository storing JET CLI tools: https://gitlab-master.nvidia.com/clara-discovery/bionemo-github-ci/-/blob/master/jet/cli.py?ref_type=heads#L78

The PR it is still a draft. I need to adjust number of steps (due to 4h time limit and reducing nodes from 32 to 4). Also, I need to add test section.

In order to make the management of configs more robust, I will add a unit test in BioNeMo2 which checks if the training command can be executed.

TODO in the future:

  1. Run trainings on different random seeds
  2. Use full convergence max steps in lr scheduler: Add support on num steps for learning rate scheduler #489

@dorotat-nv dorotat-nv changed the title added initial config for partial conv in JET of esm2 in bionemo2 initial config for partial conv in JET of esm2 in bionemo2 Nov 13, 2024
@skothenhill-nv
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Did we decide to do this with the CLI/argparse entrypoints? This is doable with the pydantic interface as well.

Comment thread ci/benchmarks/partial-conv/esm2_pretrain.yaml Outdated
@dorotat-nv dorotat-nv requested a review from pstjohn December 2, 2024 14:12
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@sichu2023 sichu2023 left a comment

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LGTM.

Comment thread ci/benchmarks/partial-conv/esm2_pretrain.yaml Outdated
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/build-ci

@dorotat-nv dorotat-nv enabled auto-merge (squash) December 11, 2024 16:45
@dorotat-nv dorotat-nv closed this Jan 13, 2025
auto-merge was automatically disabled January 13, 2025 13:25

Pull request was closed

@dorotat-nv dorotat-nv deleted the dorotat/esm2-partial-conv-jet-bionemo2 branch January 13, 2025 13:25
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5 participants