Tschoui commited on
Commit
ce05748
1 Parent(s): a401549

Changed default molecules in text boxes

Browse files
Files changed (1) hide show
  1. src/app/layout.py +14 -6
src/app/layout.py CHANGED
@@ -159,8 +159,16 @@ class LayoutMaker():
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  label="SMILES input for query molecules",
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  label_visibility="hidden",
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  key="query_textbox",
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- value="CC(C)Sc1nc(C(C)(C)C)nc(OCC(=O)O)c1C#N, "
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- "Cc1nc(NCc2cccnc2)cc(=O)n1CC(=O)O",
 
 
 
 
 
 
 
 
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  )
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  elif input_choice == "CSV upload":
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  query_file = st.file_uploader(key="query_csv",
@@ -194,8 +202,8 @@ class LayoutMaker():
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  label="SMILES input for active support set molecules",
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  label_visibility="hidden",
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  key="active_textbox",
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- value="Cc1nc(NCC2CCCCC2)c(C#N)c(=O)n1CC(=O)O, "
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- "CSc1nc(C(C)C)nc(OCC(=O)O)c1C#N"
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  )
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  elif active_input_choice == "CSV upload":
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  support_active_file = st.file_uploader(
@@ -224,8 +232,8 @@ class LayoutMaker():
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  label="SMILES input for inactive support set molecules",
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  label_visibility="hidden",
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  key="inactive_textbox",
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- value="CSc1nc(C)nc(OCC(=O)O)c1C#N, "
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- "CSc1nc(C)n(CC(=O)O)c(=O)c1C#N"
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  )
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  elif inactive_input_choice == "CSV upload":
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  support_inactive_file = st.file_uploader(
 
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  label="SMILES input for query molecules",
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  label_visibility="hidden",
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  key="query_textbox",
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+ value= "Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c(=O)n1CC(=O)O, "
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+ "N#Cc1c(-c2ccccc2)nc(-c2cccc3c(Br)cccc23)n(CC(=O)O)c1=O, "
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+ "Cc1nc(N2CCC(Cc3ccccc3)CC2)c(C#N)c(=O)n1CC(=O)O, "
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+ "CC(C)Sc1nc(C(C)(C)C)nc(OCC(=O)O)c1C#N, "
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+ "Cc1nc(NCc2cccnc2)cc(=O)n1CC(=O)O, "
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+ "COC(=O)c1c(SC)nc(C2CCCCC2)n(CC(=O)O)c1=O, "
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+ "Cc1nc(NCc2cccnc2)c(C#N)c(=O)n1CC(=O)O, "
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+ "CC(C)c1nc(SCc2ccccc2)c(C#N)c(=O)n1CC(=O)O, "
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+ "N#Cc1c(OCC(=O)O)nc(-c2cccc3ccccc23)nc1-c1ccccc1, "
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+ "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F"
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  )
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  elif input_choice == "CSV upload":
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  query_file = st.file_uploader(key="query_csv",
 
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  label="SMILES input for active support set molecules",
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  label_visibility="hidden",
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  key="active_textbox",
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+ value="CC(C)(C)c1nc(OCC(=O)O)c(C#N)c(SCC2CCCCC2)n1, "
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+ "Cc1nc(NCC2CCCCC2)c(C#N)c(=O)n1CC(=O)O"
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  )
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  elif active_input_choice == "CSV upload":
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  support_active_file = st.file_uploader(
 
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  label="SMILES input for inactive support set molecules",
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  label_visibility="hidden",
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  key="inactive_textbox",
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+ value="CSc1nc(C2CCCCC2)n(CC(=O)O)c(=O)c1S(=O)(=O)c1ccccc1, "
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+ "CSc1nc(C)nc(OCC(=O)O)c1C#N"
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  )
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  elif inactive_input_choice == "CSV upload":
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  support_inactive_file = st.file_uploader(