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pbenner / equitrain

Generic training script for Equiformer
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Generalize training and prediction routines #3

Open pbenner opened 5 months ago

pbenner commented 5 months ago

The code should be general enough so that any model that takes structures as input and predicts energy can be given to the training script

carlosmada22 commented 1 week ago

Add functionality to adapt all the internal imports of newly imported models, so it can work without changing them manually, ex: mace.tools.utils --> equitrain.mace.mace.tools.utils