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choderalab / modelforge

Infrastructure to implement and train NNPs
https://modelforge.readthedocs.io/en/latest/
MIT License
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Make hyperparameters of radial and angular symmetry functions trainable #71

Closed wiederm closed 4 months ago

wiederm commented 4 months ago

As discussed yesterday, we want to have the option to treat some of the hyperparameters defined in the symmetry functions as trainable.