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choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
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Log unused parameters at end of training #160

Closed wiederm closed 2 weeks ago

wiederm commented 2 weeks ago

Description

Some models have unused parameters during training (e.g., training ANI2x on QM9 some atomic networks are not trained since the elements are not present). This PR includes code to log the names of the unused parameters after training ends and logs them.

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