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muammar / ml4chem

ML4Chem: Machine Learning for Chemistry and Materials
https://ml4chem.dev
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Ionic Potentials-based on Alireza Ghasemi, 2015 #16

Open eligardella opened 5 years ago

muammar commented 5 years ago

Is there a way to prototype the ALPHA_DICT in python, like in C? Otherwise the training file will throw an error that ALPHA_DICT is referenced before being assigned in the init of NeuralNetweork(line 61)

I think adding the dictionary before starting the class would do it. That way it becomes assigned before is referenced. We should find a good place to add that dictionary as a common file as you originally intended but for the moments what I mentioned before might work.

muammar commented 5 years ago 
ImportError: cannot import name 'ionic_loss' from 'ml4chem.models.loss' (../../ml4chem/models/loss.py)