Update app.py
Browse files
app.py
CHANGED
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@@ -15,9 +15,9 @@ st.subheader('',divider='rainbow')
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url1= r"https://docs.google.com/spreadsheets/d/1AKkZS04VF3osFT36aNHIb4iUbV8D1uNfsldcpHXogj0/gviz/tq?tqx=out:csv&sheet=dap"
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df1 = pd.read_csv(url1, dtype=str, encoding='utf-8')
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col1, col2 = st.columns(2)
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st.subheader("
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with col1:
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text_search = st.text_input(label="_", value="",label_visibility="hidden" )
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m1 = df1["Donor_Name"].str.contains(text_search)
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m2 = df1["reference"].str.contains(text_search)
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@@ -36,6 +36,7 @@ st.download_button(
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"β¬οΈ Download edited files as .csv", edited_df.to_csv(), "edited_df.csv", use_container_width=True
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)
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#st.subheader("π :red[***Select the type of active layer...***]")
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col3, col4 = st.columns(2)
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with col3:
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@@ -48,7 +49,7 @@ with col4:
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option ="example"
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molecule = 'O=C(C(C=C(F)C(F)=C1)=C1C/2=C(C#N)/C#N)C2=C/C3=C(CCCCCCCCCCC)C(S4)=C(S3)C5=C4C6=C(N5CC(CC)CCCC)C7=C(C(SC8=C9SC(/C=C%10C(C(C=C(F)C(F)=C%11)=C%11C\%10=C(C#N)C#N)=O)=C8CCCCCCCCCCC)=C9N7CC(CC)CCCC)C%12=NSN=C6%12'
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do = 'CCCCC(CC)CC1=C(F)C=C(C2=C3C=C(C4=CC=C(C5=C6C(=O)C7=C(CC(CC)CCCC)SC(CC(CC)CCCC)=C7C(=O)C6=C(C6=CC=C(C)S6)S5)S4)SC3=C(C3=CC(F)=C(CC(CC)CCCC)S3)C3=C2SC(C)=C3)S1'
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-
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if option =="πAcceptor":
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st.subheader("π¨βπ¬**Input the SMILES of Acceptor Molecule**")
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molecule = st.text_input("π¨βπ¬**Input the SMILES of Acceptor Molecule**", label_visibility="hidden" )
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@@ -79,6 +80,7 @@ try:
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except:
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st.subheader(f"β‘**PCE**: None ")
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st.subheader(":black[**π§‘ High-throughput screening for high-performance D/A pairs**]")
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col5, col6 = st.columns(2)
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with col5:
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uploaded_files = st.file_uploader("Choose a CSV file")
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url1= r"https://docs.google.com/spreadsheets/d/1AKkZS04VF3osFT36aNHIb4iUbV8D1uNfsldcpHXogj0/gviz/tq?tqx=out:csv&sheet=dap"
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df1 = pd.read_csv(url1, dtype=str, encoding='utf-8')
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col1, col2 = st.columns(2)
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st.subheader("π**The donor and acceptor database**")
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with col1:
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st.caption("π**Search papers or molecules**")
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text_search = st.text_input(label="_", value="",label_visibility="hidden" )
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m1 = df1["Donor_Name"].str.contains(text_search)
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m2 = df1["reference"].str.contains(text_search)
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"β¬οΈ Download edited files as .csv", edited_df.to_csv(), "edited_df.csv", use_container_width=True
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)
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#st.subheader("π :red[***Select the type of active layer...***]")
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st.subheader("π**Molecular editor**")
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col3, col4 = st.columns(2)
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with col3:
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option ="example"
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molecule = 'O=C(C(C=C(F)C(F)=C1)=C1C/2=C(C#N)/C#N)C2=C/C3=C(CCCCCCCCCCC)C(S4)=C(S3)C5=C4C6=C(N5CC(CC)CCCC)C7=C(C(SC8=C9SC(/C=C%10C(C(C=C(F)C(F)=C%11)=C%11C\%10=C(C#N)C#N)=O)=C8CCCCCCCCCCC)=C9N7CC(CC)CCCC)C%12=NSN=C6%12'
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do = 'CCCCC(CC)CC1=C(F)C=C(C2=C3C=C(C4=CC=C(C5=C6C(=O)C7=C(CC(CC)CCCC)SC(CC(CC)CCCC)=C7C(=O)C6=C(C6=CC=C(C)S6)S5)S4)SC3=C(C3=CC(F)=C(CC(CC)CCCC)S3)C3=C2SC(C)=C3)S1'
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st.subheader("π**PCE prediction**")
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if option =="πAcceptor":
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st.subheader("π¨βπ¬**Input the SMILES of Acceptor Molecule**")
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molecule = st.text_input("π¨βπ¬**Input the SMILES of Acceptor Molecule**", label_visibility="hidden" )
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except:
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st.subheader(f"β‘**PCE**: None ")
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st.subheader(":black[**π§‘ High-throughput screening for high-performance D/A pairs**]")
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+
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col5, col6 = st.columns(2)
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with col5:
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uploaded_files = st.file_uploader("Choose a CSV file")
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