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Description
Currently using the training argument "output_mlp_num_layers" will not actually do anything with a scalar output model.
The keyword argument here needs to be changed to "num_hidden_layers":
num_hidden_layers=kwargs.get("num_layers", 0), |
To correspond to the passed value here:
torchmd-net/torchmdnet/models/model.py
Line 130 in f6c0c16
num_hidden_layers=args.get("output_mlp_num_layers", 0), |
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