Merge pull request #70 from Fung-Lab/vxfung-patch-2

Vxfung patch 2
Fung-Lab · Feb 26, 2024 · 47fe2f3 · 47fe2f3
2 parents 505b73f + 026aa14
commit 47fe2f3
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diff --git a/data/data.pt b/data/data.pt
diff --git a/matdeeplearn/models/__init__.py b/matdeeplearn/models/__init__.py
@@ -1,7 +1,8 @@
-__all__ = ["BaseModel", "CGCNN", "MPNN", "SchNet", "TorchMD_ET"]
+__all__ = ["BaseModel", "CGCNN", "MPNN", "SchNet", "TorchMD_ET", "TorchMD_ET_early"]
 
 from .base_model import BaseModel
 from .cgcnn import CGCNN
 from .mpnn import MPNN
 from .schnet import SchNet
-from .torchmd_etEarly import TorchMD_ET
+from .torchmd_et import TorchMD_ET
+from .torchmd_etEarly import TorchMD_ET_Early