Vaishnav14220 commited on
Commit
fb9b959
·
1 Parent(s): 124394f

Add SMILES columns to the reactions table view

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Files changed (1) hide show
  1. app.py +2 -2
app.py CHANGED
@@ -254,9 +254,9 @@ with gr.Blocks(title="Organic Reactions Search") as demo:
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  with gr.Tab("View All Reactions (Table)"):
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  gr.Markdown("Browse all 828 reactions in a tabular format.")
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  # Prepare data for table display
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- table_data = df[['corrected_name', 'general_reactants', 'general_reagents', 'general_products']].copy()
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  table_data['description'] = df['description'].str[:100] + '...' # Truncate description
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- table_data.columns = ['Reaction Name', 'Reactants', 'Reagents', 'Products', 'Description (truncated)']
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  table_output = gr.Dataframe(value=table_data, label="All Reactions", interactive=False)
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  gr.Markdown("""
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  ## API Endpoints
 
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  with gr.Tab("View All Reactions (Table)"):
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  gr.Markdown("Browse all 828 reactions in a tabular format.")
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  # Prepare data for table display
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+ table_data = df[['corrected_name', 'general_reactants', 'reactants_smiles', 'general_reagents', 'reagents_smiles', 'general_products', 'products_smiles']].copy()
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  table_data['description'] = df['description'].str[:100] + '...' # Truncate description
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+ table_data.columns = ['Reaction Name', 'Reactants', 'Reactants SMILES', 'Reagents', 'Reagents SMILES', 'Products', 'Products SMILES', 'Description (truncated)']
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  table_output = gr.Dataframe(value=table_data, label="All Reactions", interactive=False)
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  gr.Markdown("""
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  ## API Endpoints