Add progress bar to GraphModel predict functions

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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Add progress bar to GraphModel predict functions #362

Closed dgaines2 closed 2 years ago

dgaines2 commented 2 years ago

Add option to include a progress bar for predict_graphs() and predict_structures(). The bar current shows the total number of predictions as the number of batches, rather than the total number of graphs/structures.

shyuep commented 2 years ago

thanks.