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Update app.py
Browse files
app.py
CHANGED
@@ -17,6 +17,7 @@ url1 = r"https://docs.google.com/spreadsheets/d/1HfCTquggWtXMevB-DenMKDs-q8JUya9
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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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m1 = df1["name"].str.contains(text_search)
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m2 = df1["reference"].str.contains(text_search)
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df_search = df1[m1 | m2]
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@@ -29,13 +30,12 @@ st.download_button(
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"⬇️ Download edited files as .csv", edited_df.to_csv(), "edited_df.csv", use_container_width=True
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)
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molecule = st.text_input("
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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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-
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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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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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+
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m1 = df1["name"].str.contains(text_search)
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m2 = df1["reference"].str.contains(text_search)
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df_search = df1[m1 | m2]
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"⬇️ Download edited files as .csv", edited_df.to_csv(), "edited_df.csv", use_container_width=True
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)
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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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try:
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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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except:
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st.markdown(f"⚡PCE predicted by RF: None")
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