Update app.py
Browse files
app.py
CHANGED
@@ -22,7 +22,7 @@ with col1:
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df_search = df1[m1 | m2|m3]
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with col2:
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st.link_button("📝DATABASE", r"https://docs.google.com/spreadsheets/d/1AKkZS04VF3osFT36aNHIb4iUbV8D1uNfsldcpHXogj0")
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st.caption('🎉If you want to update the database, click the button.')
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if text_search:
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st.write(df_search)
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st.download_button( "⬇️Download edited files as .csv", df_search.to_csv(), "df_search.csv", use_container_width=True)
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@@ -38,15 +38,15 @@ option = st.selectbox(
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)
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if option == 'Acceptor':
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molecule = st.text_input("👨🔬Acceptor Molecule" )
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acceptor= st_ketcher(molecule )
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st.markdown(f"🏆New SMILES of edited acceptor molecules: {acceptor}")
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donor= st.text_input("📋 Donor Molecule")
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if option =='Donor':
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do= st.text_input("👨🔬Donor Molecule" )
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donor = st_ketcher(do)
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st.markdown(f"🏆New SMILES of edited donor molecules: {donor}")
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acceptor = st.text_input("📋 Acceptor Molecule")
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try:
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pce = run.smiles_aas_test( str(acceptor ), str(donor) )
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st.markdown(f"⚡PCE: ``{pce}``")
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df_search = df1[m1 | m2|m3]
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with col2:
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st.link_button("📝DATABASE", r"https://docs.google.com/spreadsheets/d/1AKkZS04VF3osFT36aNHIb4iUbV8D1uNfsldcpHXogj0")
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+
st.caption('🎉If you want to update the origin database, click the button.')
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if text_search:
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st.write(df_search)
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st.download_button( "⬇️Download edited files as .csv", df_search.to_csv(), "df_search.csv", use_container_width=True)
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)
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if option == 'Acceptor':
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molecule = st.text_input("👨🔬SMILES of Acceptor Molecule" )
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acceptor= st_ketcher(molecule )
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st.markdown(f"🏆New SMILES of edited acceptor molecules: {acceptor}")
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donor= st.text_input("📋SMILES of Donor Molecule")
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if option =='Donor':
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do= st.text_input("👨🔬SMILES of Donor Molecule" )
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donor = st_ketcher(do)
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st.markdown(f"🏆New SMILES of edited donor molecules: {donor}")
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acceptor = st.text_input("📋SMILES of Acceptor Molecule")
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try:
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pce = run.smiles_aas_test( str(acceptor ), str(donor) )
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st.markdown(f"⚡PCE: ``{pce}``")
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