Support for float64 #182
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Support for float64 #182
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raimis
reviewed
Jun 6, 2023
raimis
reviewed
Jun 6, 2023
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This tensor should also get a dtype: torchmd-net/torchmdnet/priors/d2.py Line 49 in e20876f |
Acked-by: RaulPPealez <[email protected]>
raimis
approved these changes
Jun 15, 2023
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I added a new parameter, dtype, to control whether TorchMD_Net uses float or double.
The value can be passed along the rest to create_model, but it defaults to float if not present. Can be either a string or a torch.dtype.
I also added some comments here and there.
To showcase I added a test that checks the correctness of gradients for all models using torch.autograd.gradcheck.