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feature: initial framework for training and evaluating models#4

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saraheisenach merged 3 commits intomainfrom
dev
Nov 1, 2022
Merged

feature: initial framework for training and evaluating models#4
saraheisenach merged 3 commits intomainfrom
dev

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@saraheisenach
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This PR adds the initial framework for training and evaluating ML models. The changes in this PR include:

  • Framework to run model training from the command line using scripts/main.py and configs/config.yml
  • Registry to register and load class names for trainers, models, and tasks when running from config file
  • Data preprocessing to create data.pt file
  • Model, Trainer, Evaluator, Scheduler, and Task classes
  • CGCNN model class
  • Logging per epoch for training run

shuyijia
shuyijia previously approved these changes Oct 31, 2022
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Tested dev branch on PACE; was able to successfully generate data.pt file and run training on CGCNN for 10 epochs.

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Tested dev branch on PACE; was able to successfully generate data.pt file and run training on CGCNN for 10 epochs.

@saraheisenach saraheisenach merged commit 8cd46d1 into main Nov 1, 2022
@saraheisenach saraheisenach deleted the dev branch November 1, 2022 16:02
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2 participants