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[SD-154] Create a PyTorch energy estimation CLI tool #73

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@dudeperf3ct dudeperf3ct commented Feb 19, 2025

Few changes done to the model_training

  • Issue with mlflow loading the saved model using mlflow.pyfunc.load_model (No module named model_builder). Since we are using a custom sklearn pipeline, we have to save the model definition as well (how to load the saved model).
  • For resolving above mlflow issue, we manually log the model instead of relying on autologging and use code_paths to add model_builder folder while logging the model.
  • Additionally, trainer.py is moved as mlflow expects a particular format for saving the model using code_paths argument. See here for more details.

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dagshub bot commented Feb 19, 2025

@OCarrollM
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looks good to me! nice work

@OCarrollM OCarrollM self-requested a review February 19, 2025 11:02
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