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ORNL · Oct 26, 2024 · 0c63fd6 · 0c63fd6
1 parent b58c053
commit 0c63fd6
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Showing 3 changed files with 8 additions and 11 deletions.
diff --git a/hydragnn/models/EGCLStack.py b/hydragnn/models/EGCLStack.py
@@ -26,7 +26,6 @@ def __init__(
         max_neighbours: Optional[int] = None,
         **kwargs,
     ):
-
         self.edge_dim = (
             0 if edge_attr_dim is None else edge_attr_dim
         )  # Must be named edge_dim to trigger use by Base
@@ -159,7 +158,6 @@ def __init__(
         self.clamp = clamp
 
         if self.equivariant:
-
             layer = nn.Linear(hidden_channels, 1, bias=False)
             torch.nn.init.xavier_uniform_(layer.weight, gain=0.001)
 

diff --git a/hydragnn/models/HybridEGCLStack.py b/hydragnn/models/HybridEGCLStack.py
@@ -56,14 +56,12 @@ def loss_hpweighted(self, pred, value, head_index, var=None):
             # Calculate MSE if position noise
             elif ihead == 1:
                 head_loss = self.mse(head_pred, head_val)
-            
+
             # Add loss to total loss and list of tasks loss
-            tot_loss += (
-                head_loss * self.loss_weights[ihead]
-            )
+            tot_loss += head_loss * self.loss_weights[ihead]
             tasks_loss.append(head_loss)
 
         return tot_loss, tasks_loss
-    
+
     def __str__(self):
-        return "HybridEGCLStack"
+        return "HybridEGCLStack"
diff --git a/hydragnn/utils/input_config_parsing/config_utils.py b/hydragnn/utils/input_config_parsing/config_utils.py
@@ -206,9 +206,10 @@ def update_config_NN_outputs(config, data, graph_size_variable):
     else:
         for ihead in range(len(output_type)):
             if output_type[ihead] != "graph":
-                if not "dynamic_target" in config["Variables_of_interest"] or\
-                    ("dynamic_target" in config["Variables_of_interest"] and\
-                     not config["Variables_of_interest"]["dynamic_target"]): # raise ValueError if yloc missing on non-graph, with "dynamic_target" set to false or missing
+                if not "dynamic_target" in config["Variables_of_interest"] or (
+                    "dynamic_target" in config["Variables_of_interest"]
+                    and not config["Variables_of_interest"]["dynamic_target"]
+                ):  # raise ValueError if yloc missing on non-graph, with "dynamic_target" set to false or missing
                     raise ValueError(
                         "y_loc is needed for outputs that are not at graph levels",
                         output_type[ihead],