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[BE] Update all configs to use ocp2.0 format #653

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merged 7 commits into from
Jun 5, 2024

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Updates the dataset, outputs, loss functions, eval metrics, and task sections of the configs to use the new format in #520.

Most model configs simply include base.yml, with a few exceptions:

  • equiformer uses its own trainer
  • dimenet++ in S2EF all has force-only and energy-only versions
  • odac/s2ef/base.yml and s2ef/2M/dimenet_plus_plus/dpp_relax.yml have relaxation params
  • force and energy coefficients are often different from the included base.yml

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codecov bot commented Apr 12, 2024

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All modified and coverable lines are covered by tests ✅

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configs/oc22/s2ef/gemnet-dt/gemnet_dT_finetune.yml Outdated Show resolved Hide resolved
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@mshuaibii mshuaibii added this pull request to the merge queue Jun 5, 2024
Merged via the queue into main with commit 1b4b62b Jun 5, 2024
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@mshuaibii mshuaibii deleted the update_configs_ocp2.0_format branch June 5, 2024 00:31
levineds pushed a commit that referenced this pull request Jul 11, 2024
* switch all main repo configs to ocp2.0 format

* move energy and force coefficients to loss functions

* add force magnitude and remove extra energy metrics from s2ef configs

* address PR comments

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Co-authored-by: Muhammed Shuaibi <[email protected]>
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