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aiqm / torchani

Accurate Neural Network Potential on PyTorch
https://aiqm.github.io/torchani/
MIT License
464 stars 128 forks source link

Specify dtype for species #502

Closed zasdfgbnm closed 4 years ago

zasdfgbnm commented 4 years ago

For some reason, sometimes species are constructed as int tensors instead of long tensors, this is wrong and should be fixed