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aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
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data loading does not work for me. #599

Closed SamTov closed 2 years ago

SamTov commented 2 years ago

When I run the nnp_train_forces.py example no data is loaded from the symbolic link. I am trying to train models using my own data and would like to understand the shapes and what is passed into ANI but cannot get the data to load. Am I supposed to load the hdf5 database separately?

SamTov commented 2 years ago

The data would still not load but I worked out the shapes from the documentation so will close the issue.