jinysun commited on
Commit
e484c23
·
1 Parent(s): d096bbd

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +3 -3
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]
@@ -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("📋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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  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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  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")