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Update src/streamlit_app.py
Browse files- src/streamlit_app.py +2 -2
src/streamlit_app.py
CHANGED
@@ -70,7 +70,7 @@ st.set_page_config(
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# Title and description
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st.markdown('## MLIP Playground', unsafe_allow_html=True)
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st.write('#### Run atomistic simulations with state-of-the-art universal machine learning interatomic potentials (MLIPs) for molecules and materials')
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st.markdown('Upload molecular structure files or select from predefined examples, then compute energies and forces using foundation models such as those from MACE or FairChem (Meta).', unsafe_allow_html=True)
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# Create a directory for sample structures if it doesn't exist
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@@ -224,7 +224,7 @@ FAIRCHEM_MODELS = {
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"ESEN SM Direct All OMOL": "esen-sm-direct-all-omol"
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}
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def get_mace_model(model_path, device, selected_default_dtype):
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# Create a model of the specified type.
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return mace_mp(model=model_path, device=device, default_dtype=selected_default_dtype)
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# Title and description
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st.markdown('## MLIP Playground', unsafe_allow_html=True)
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st.write('#### Run atomistic simulations with >17 state-of-the-art universal machine learning interatomic potentials (MLIPs) for molecules and materials')
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st.markdown('Upload molecular structure files or select from predefined examples, then compute energies and forces using foundation models such as those from MACE or FairChem (Meta).', unsafe_allow_html=True)
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# Create a directory for sample structures if it doesn't exist
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"ESEN SM Direct All OMOL": "esen-sm-direct-all-omol"
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}
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@st.cache_resource
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def get_mace_model(model_path, device, selected_default_dtype):
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# Create a model of the specified type.
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return mace_mp(model=model_path, device=device, default_dtype=selected_default_dtype)
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