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ramanathanlab / molecular_dynamics_neural_operator

Collection of machine learning models for learning molecular dynamics operators.
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Do we need the GaussianNormalizer? #1

Open braceal opened 3 years ago

braceal commented 3 years ago

@zongyi-li Do we still need the GaussianNormalizer? Or should I remove it from the training loop? Thanks!

https://github.com/zongyi-li/graph-pde/blob/master/graph-neural-operator/UAI1_full_resolution.py#L137

zongyi-li commented 3 years ago

Sorry for the delay. I don't think we need the normalizer, which makes things complicated. We can simply remove them.