use v2 default

orbital-materials · Oct 4, 2024 · 5ed0e78 · 5ed0e78
1 parent 12b44e4
commit 5ed0e78
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/orb_models/forcefield/gns.py b/orb_models/forcefield/gns.py
@@ -219,8 +219,8 @@ def __init__(
         num_edge_out: int,
         num_mlp_layers: int,
         mlp_hidden_dim: int,
-        attention_gate: Literal["sigmoid", "softmax"] = "sigmoid",
-        distance_cutoff: bool = True,
+        attention_gate: Literal["sigmoid", "softmax"] = "softmax",
+        distance_cutoff: bool = False,
         polynomial_order: Optional[int] = 4,
         cutoff_rmax: Optional[float] = 6.0,
     ):

diff --git a/orb_models/forcefield/graph_regressor.py b/orb_models/forcefield/graph_regressor.py
@@ -117,7 +117,7 @@ def __init__(
         mlp_hidden_dim: int,
         target: Union[str, PropertyDefinition],
         dropout: Optional[float] = None,
-        remove_mean: bool = True,
+        remove_mean: bool = False,
     ):
         """Initializes the NodeHead MLP.