Comments (3)
It looks like the only shared parameter is n_species
in GMNN.__init__
, so imho GMNN(Descriptor, MLP)
looks better and is probably easier to maintain.
https://github.com/GM-NN/gmnn-jax/blob/ec7f81e6f82b9b934c9e510dcbb05f00d8a5ba62/gmnn_jax/model/gmnn.py#L25-L62
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What do you think, @PythonFZ ?
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This is going to be a bit more involved than I initially thought. haiku requires all Modules to be initialized within an hk.transform
. That means a construction like this GMNN(Descriptor, MLP)
is not possible.
I think there are two options around this:
- ad abstraction on top: Instead of passing the modules directly we could pass around factory classes.
- try and see if Flax offers a more elegant solution.
I will investigate these options eventually.
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Related Issues (20)
- variable name consistency
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