Instructions on loading local model

choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

https://docs.espaloma.org/en/latest/

MIT License

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Instructions on loading local model #183

Closed ijpulidos closed 10 months ago

ijpulidos commented 10 months ago

Add instructions in the deployment section when loading a local model from a serialized .pt file. When using it for inference it needs to run the .eval method to set the model to evaluation mode, before doing predictions.

Resolves #182

codecov-commenter commented 10 months ago

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