tweak

DeNeutoy · DeNeutoy · commit 9a68e46503f0 · 2025-03-18T17:35:17.000-07:00
diff --git a/orb_models/forcefield/conservative_regressor.py b/orb_models/forcefield/conservative_regressor.py
@@ -149,11 +149,6 @@ def forward(self, batch: base.AtomGraphs) -> Dict[str, torch.Tensor]:
             )
             out[self.energy_name] += normalized.unsqueeze(1)
 
-        if "confidence" in self.heads:
-            target_name = self.heads["confidence"].target.fullname
-            out[target_name] = self.heads["confidence"](node_features, batch)
-
-        # Compute conservative predictions if needed
         raw_energy = self.heads[self.energy_name].denormalise_prediction(
             pred=out[self.energy_name], batch=batch
         )

Original file line number	Diff line number	Diff line change
`@@ -149,11 +149,6 @@ def forward(self, batch: base.AtomGraphs) -> Dict[str, torch.Tensor]:`
`149`	`149`	`)`
`150`	`150`	`out[self.energy_name] += normalized.unsqueeze(1)`
`151`	`151`
`152`		`- if "confidence" in self.heads:`
`153`		`- target_name = self.heads["confidence"].target.fullname`
`154`		`- out[target_name] = self.heads["confidence"](node_features, batch)`
`155`		`-`
`156`		`- # Compute conservative predictions if needed`
`157`	`152`	`raw_energy = self.heads[self.energy_name].denormalise_prediction(`
`158`	`153`	`pred=out[self.energy_name], batch=batch`
`159`	`154`	`)`