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Update docstring
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RaulPPelaez committed Mar 19, 2024
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6 changes: 6 additions & 0 deletions torchmdnet/models/model.py
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Expand Up @@ -461,6 +461,12 @@ def forward(
):
"""Average predictions over all models in the ensemble.
The arguments to this function are simply relayed to the forward method of each :py:mod:`TorchMD_Net` model in the ensemble.
Args:
*args: Positional arguments to forward to the models.
**kwargs: Keyword arguments to forward to the models.
Returns:
Tuple[Tensor, Optional[Tensor]] or Tuple[Tensor, Optional[Tensor], Tensor, Optional[Tensor]]: The average and standard deviation of the predictions over all models in the ensemble. If return_std is False, the output is a tuple (mean_y, mean_neg_dy). If return_std is True, the output is a tuple (mean_y, mean_neg_dy, std_y, std_neg_dy).
"""
y = []
neg_dy = []
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