Update default model names.

chemle · Oct 1, 2024 · 70db930 · 70db930
1 parent b046f9f
commit 70db930
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/emle/calculator.py b/emle/calculator.py
@@ -229,8 +229,8 @@ class EMLECalculator:
 
     # Create the name of the default model file for each alpha mode.
     _default_models = {
-        "species": _os.path.join(_resource_dir, "emle_qm7_aev.mat"),
-        "reference": _os.path.join(_resource_dir, "emle_qm7_aev_alphagpr.mat"),
+        "species": _os.path.join(_resource_dir, "emle_qm7_aev_species.mat"),
+        "reference": _os.path.join(_resource_dir, "emle_qm7_aev_reference.mat"),
     }
 
     # Store the list of supported species.

diff --git a/emle/models/_emle.py b/emle/models/_emle.py
@@ -74,8 +74,8 @@ class EMLE(_torch.nn.Module):
 
     # Create the name of the default model file for each alpha mode.
     _default_models = {
-        "species": _os.path.join(_resource_dir, "emle_qm7_aev.mat"),
-        "reference": _os.path.join(_resource_dir, "emle_qm7_aev_alphagpr.mat"),
+        "species": _os.path.join(_resource_dir, "emle_qm7_aev_species.mat"),
+        "reference": _os.path.join(_resource_dir, "emle_qm7_aev_reference.mat"),
     }
 
     # Store the list of supported species.