aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
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Allow easily loading individual models #476

Closed IgnacioJPickering closed 4 years ago

IgnacioJPickering commented 4 years ago

This PR builds on my previous PR and allows easily loading single models without loading the whole network using single_model = ANI1x(model_index=0) ensemble = ANI1x() for example.

IgnacioJPickering commented 4 years ago

Ok, nice, it doesn't really add anything new at all but I think the functionality is pretty obvious and should be implemented for convenience.