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Update app.py
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app.py
CHANGED
@@ -34,6 +34,12 @@ st.markdown('##### The code expects input_data as a string or CSV file that cont
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st.markdown('##### If there are no reagents or catalysts, fill the blank with a space. And if there are multiple reactants, concatenate them with "."')
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display_text = 'input the reaction smiles (e.g. REACTANT:CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(O)cc1OCC2.CCN(C(C)C)C(C)C.Cl.NC(=O)[C@@H]1C[C@H](F)CN1REAGENT: PRODUCT:O=C(NNC(=O)C(F)(F)F)C(F)(F)F)'
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class CFG():
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uploaded_file = st.file_uploader("Choose a CSV file")
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st.markdown('##### If there are no reagents or catalysts, fill the blank with a space. And if there are multiple reactants, concatenate them with "."')
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display_text = 'input the reaction smiles (e.g. REACTANT:CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(O)cc1OCC2.CCN(C(C)C)C(C)C.Cl.NC(=O)[C@@H]1C[C@H](F)CN1REAGENT: PRODUCT:O=C(NNC(=O)C(F)(F)F)C(F)(F)F)'
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st.download_button(
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label="Download demo_input.csv",
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data=pd.read_csv('demo_input.csv').to_csv(index=False),
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file_name='demo_input.csv',
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mime='text/csv',
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)
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class CFG():
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uploaded_file = st.file_uploader("Choose a CSV file")
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