Streamline model configs initialization

InfluenceFunctional / MXtalTools

BSD 3-Clause "New" or "Revised" License

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Streamline model configs initialization #5

Closed InfluenceFunctional closed 3 months ago

InfluenceFunctional commented 9 months ago

Currently we pass many configs explicitly through the various models, into molecule_graph_model, and onto GraphNeuralNetwork. Probably this could be simplified with kwargs.

InfluenceFunctional commented 8 months ago

Not sure if kwargs is actually a responsible approach as it may leave room for mistakes & omissions. Need to be careful.

InfluenceFunctional commented 3 months ago

Fixed in equivariant_implement