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Update app.py
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app.py
CHANGED
@@ -14,7 +14,6 @@ st.title("🔋DeepAcceptor")
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# Connect to the Google Sheet
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url1 = r"https://docs.google.com/spreadsheets/d/1YOEIg0nMTSPkAOr8wkqxQRLuUhys3-J0I-KPEpmzPLw/gviz/tq?tqx=out:csv&sheet=accept"
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url = r"https://docs.google.com/spreadsheets/d/1YOEIg0nMTSPkAOr8wkqxQRLuUhys3-J0I-KPEpmzPLw/gviz/tq?tqx=out:csv&sheet=111"
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df1 = pd.read_csv(url1, dtype=str, encoding='utf-8')
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text_search = st.text_input("🔍Search papers or molecules", value="")
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@@ -34,11 +33,16 @@ molecule = st.text_input("📋Molecule")
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smile_code = st_ketcher(molecule)
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st.markdown(f"✨Smiles code: {smile_code}")
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P = RF.main( str(smile_code ) )
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st.markdown(f"⚡PCE predicted by RF: {P}")
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try:
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pce = abcBERT.main( str(smile_code ) )
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st.markdown(f"⚡PCE predicted by abcBERT: {pce}")
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except:
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st.markdown(f"⚡PCE predicted by abcBERT:
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# Connect to the Google Sheet
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url1 = r"https://docs.google.com/spreadsheets/d/1YOEIg0nMTSPkAOr8wkqxQRLuUhys3-J0I-KPEpmzPLw/gviz/tq?tqx=out:csv&sheet=accept"
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df1 = pd.read_csv(url1, dtype=str, encoding='utf-8')
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text_search = st.text_input("🔍Search papers or molecules", value="")
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smile_code = st_ketcher(molecule)
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st.markdown(f"✨Smiles code: {smile_code}")
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P = RF.main( str(smile_code ) )
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try:
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pce = abcBERT.main( str(smile_code ) )
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st.markdown(f"⚡PCE predicted by RF: {P}")
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except:
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st.markdown(f"⚡PCE predicted by RF: None")
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try:
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pce = abcBERT.main( str(smile_code ) )
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st.markdown(f"⚡PCE predicted by abcBERT: {pce}")
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except:
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st.markdown(f"⚡PCE predicted by abcBERT: None")
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