aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
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Add code snippet to save validation and training sets in nnp_training #548

Closed IgnacioJPickering closed 3 years ago

IgnacioJPickering commented 3 years ago

This should help with issue #443 , I had some people tell me they were not sure how to do this so I guess it doesn't hurt to add something like this.