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Ran 05 Jul 2024 06:35PM UTC

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Committed 05 Jul 2024 06:31PM UTC coverage: 100.0%. Remained the same

Job # 9812304594.1

Build Type

push

github

Committed by

web-flow

Commit Message

Add metrics tracking to TorchANI (#24)

* generalize MACE directory name

* add demo torchani nb

* WIP: track metrics

* cleanup track train, val progress

* type hint style

* update demo nb

* replace mace demo with torchani

* fix bug in eval step; add docstring

* clean up torchani demo

* Flake8 fixes

* Fix indentation

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Co-authored-by: Logan Ward <ward.logan.t@gmail.com>
Co-authored-by: Logan Ward <WardLT@users.noreply.github.com>

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