Changed default molecules in text boxes
Browse files- src/app/layout.py +14 -6
src/app/layout.py
CHANGED
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@@ -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="
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-
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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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@@ -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="
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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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@@ -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(
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-
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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(
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