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Update src/streamlit_app.py
Browse files- src/streamlit_app.py +4 -4
src/streamlit_app.py
CHANGED
@@ -936,7 +936,7 @@ def get_fairchem_model(selected_model_name, model_path_or_name, device, selected
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if selected_model_name == "UMA Small":
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calc = FAIRChemCalculator(predictor, task_name=selected_task_type_fc)
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else:
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calc = FAIRChemCalculator(predictor)
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return calc
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st.sidebar.markdown("## Input Options")
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@@ -1123,14 +1123,14 @@ if atoms is not None:
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_ = get_mace_model(MACE_MODELS["MACE MP 0a Small"], 'cpu', 'float32') # Dummy call
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calc = get_fairchem_model(selected_model, model_path, device, selected_task_type)
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elif model_type == "ORB":
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st.write("Setting up ORB calculator...")
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orbff = pretrained.orb_v3_conservative_inf_omat(device=device, precision=selected_default_dtype)
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calc = ORBCalculator(orbff, device=device)
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elif model_type == "MatterSim":
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st.write("Setting up MatterSim calculator...")
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calc = MatterSimCalculator(load_path=model_path, device=device)
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elif model_type == "SEVEN_NET":
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st.write("Setting up SEVENNET calculator...")
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calc = SevenNetCalculator(model=model_path, device=device)
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calc_atoms.calc = calc
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if selected_model_name == "UMA Small":
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calc = FAIRChemCalculator(predictor, task_name=selected_task_type_fc)
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else:
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+
calc = FAIRChemCalculator(predictor, task_name="omol")
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return calc
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st.sidebar.markdown("## Input Options")
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_ = get_mace_model(MACE_MODELS["MACE MP 0a Small"], 'cpu', 'float32') # Dummy call
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calc = get_fairchem_model(selected_model, model_path, device, selected_task_type)
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elif model_type == "ORB":
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+
# st.write("Setting up ORB calculator...")
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orbff = pretrained.orb_v3_conservative_inf_omat(device=device, precision=selected_default_dtype)
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calc = ORBCalculator(orbff, device=device)
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elif model_type == "MatterSim":
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+
# st.write("Setting up MatterSim calculator...")
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calc = MatterSimCalculator(load_path=model_path, device=device)
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elif model_type == "SEVEN_NET":
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# st.write("Setting up SEVENNET calculator...")
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calc = SevenNetCalculator(model=model_path, device=device)
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calc_atoms.calc = calc
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