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materialsvirtuallab / megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
BSD 3-Clause "New" or "Revised" License
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Return history of the model using .train_from_graphs #359

Closed dembart closed 1 year ago

dembart commented 2 years ago

Hi, Is it possible to return history of the model during training from the graphs? (train, validations errors)

chc273 commented 2 years ago

You can. This step https://github.com/materialsvirtuallab/megnet/blob/02e15ee1a69cbdc318965be12c6dd94b8c1cb144/megnet/models/base.py#L230 returns the history. You can do some modification and return the history.