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Published 20 hours ago • verified publisher icon torchmd

Wrong kwarg name in output modules MLP

Open sef43 opened this issue 1 year ago • 0 comments

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": https://github.com/torchmd/torchmd-net/blob/f6c0c16932e59373b631ceca686d810832a66b5d/torchmdnet/models/output_modules.py#L79

To correspond to the passed value here: https://github.com/torchmd/torchmd-net/blob/f6c0c16932e59373b631ceca686d810832a66b5d/torchmdnet/models/model.py#L130

sef43 avatar Oct 07 '24 13:10 sef43