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mlip-playground

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ManasSharma07 commited on Jun 6

Commit

3f4978b

verified ·

1 Parent(s): 487b81f

Update src/streamlit_app.py

Files changed (1) hide show

src/streamlit_app.py CHANGED Viewed

@@ -926,7 +926,7 @@ if atoms is not None:
                         calc = MatterSimCalculator(load_path=model_path, device=device)
                     elif model_type == "SEVEN_NET":
                         st.write("Setting up SEVENNET calculator...")
-                        calc = SevenNetD3Calculator(model=model_path, device=device)
                     calc_atoms.calc = calc
                     if task == "Energy Calculation":

                         calc = MatterSimCalculator(load_path=model_path, device=device)
                     elif model_type == "SEVEN_NET":
                         st.write("Setting up SEVENNET calculator...")
+                        calc = SevenNetCalculator(model=model_path, device=device)
                     calc_atoms.calc = calc
                     if task == "Energy Calculation":