Unverified Commit b78de6f0 authored by Bharath Ramsundar's avatar Bharath Ramsundar Committed by GitHub
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Merge pull request #2166 from alat-rights/master

Deprecating energy features for Transformers 
parents 37da8e39 d87084ce
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+4 −3
Original line number Diff line number Diff line
@@ -587,9 +587,10 @@ class NormalizationTransformer(Transformer):
        return z * y_stds

  def untransform_grad(self, grad, tasks):
    """
    Undo transformation on gradient.
    """
    """DEPRECATED. DO NOT USE."""
    logger.warning(
        "NormalizationTransformer.untransform_grad is DEPRECATED and will be removed in a future version of DeepChem. Manually implement transforms to perform force calculations."
    )
    if self.transform_y:

      grad_means = self.y_means[1:]