braceal / molecules

Machine learning for molecular dynamics.
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Fix/conv1d #94

Open hjjvandam opened 5 months ago

hjjvandam commented 5 months ago

For the correct specification of the 1D convolutions additional hyper-parameters are required. These parameters are:

This fix adds the code required for these hyper-parameters. See also https://pytorch.org/docs/stable/generated/torch.nn.Conv1d.html for more information about these hyper-parameters.