Update app.py

app.py

@@ -227,12 +227,10 @@ def create_summary(results, processing_time):
     
     summary = f"""
 ## 📈 Analysis Summary
-
 **🎯 Overall Performance:**
 - **Confidence Level:** {confidence_level} ({confidence:.1%})
 - **Processing Speed:** {processing_time:.1f} seconds
 - **Total Entities Extracted:** {total_entities}
-
 **📊 Extraction Breakdown:**
 - **Reactants:** {len(data.get('reactants', []))}
 - **Products:** {len(data.get('products', []))}
@@ -240,7 +238,6 @@ def create_summary(results, processing_time):
 - **Solvents:** {len(data.get('solvents', []))}
 - **Conditions:** {len([v for v in data.get('conditions', {}).values() if v])}
 - **Workup Steps:** {len(data.get('workup', []))}
-
 **💡 Quality Assessment:**
 {get_quality_assessment(confidence, total_entities)}
 """
@@ -279,3 +276,129 @@ Stir for 12 hours, then cool and filter through celite.
 Purify by column chromatography to obtain 0.85 g of biphenyl derivative (92% yield)."""
     ]
     return examples
+
+# Create the Gradio interface
+def create_interface():
+    """Create and return the Gradio interface"""
+    
+    with gr.Blocks(title="RxNExtract - Chemical Reaction Extraction", theme=gr.themes.Soft()) as demo:
+        
+        # Header
+        gr.Markdown("""
+        # 🧪 RxNExtract - Chemical Reaction Extraction
+        
+        Extract chemical entities and reaction information from synthetic procedures using advanced NLP models.
+        """)
+        
+        # Model loading section
+        with gr.Row():
+            with gr.Column(scale=2):
+                gr.Markdown("### 🤖 Model Management")
+                load_btn = gr.Button("Load RxNExtract Model", variant="primary", size="lg")
+                model_status = gr.Textbox(
+                    label="Model Status",
+                    value="Model not loaded. Click 'Load RxNExtract Model' to initialize.",
+                    interactive=False
+                )
+        
+        # Main interface
+        with gr.Row():
+            with gr.Column(scale=1):
+                gr.Markdown("### 📝 Input")
+                
+                procedure_input = gr.Textbox(
+                    label="Chemical Procedure",
+                    placeholder="Enter your chemical synthesis procedure here...",
+                    lines=8,
+                    max_lines=15
+                )
+                
+                with gr.Row():
+                    temperature_slider = gr.Slider(
+                        minimum=0.0,
+                        maximum=1.0,
+                        value=0.1,
+                        step=0.1,
+                        label="Temperature (Model Creativity)",
+                        info="Lower values = more focused, higher values = more creative"
+                    )
+                
+                with gr.Row():
+                    analyze_btn = gr.Button("🔍 Analyze Procedure", variant="primary", size="lg")
+                    clear_btn = gr.Button("🗑️ Clear", variant="secondary")
+                
+                # Example procedures
+                gr.Markdown("### 📋 Example Procedures")
+                examples = get_example_procedures()
+                
+                for i, example in enumerate(examples, 1):
+                    with gr.Accordion(f"Example {i}", open=False):
+                        gr.Textbox(
+                            value=example,
+                            label=f"Example {i}",
+                            lines=4,
+                            interactive=False
+                        )
+                        gr.Button(f"Use Example {i}", size="sm").click(
+                            fn=lambda ex=example: ex,
+                            outputs=procedure_input
+                        )
+            
+            with gr.Column(scale=2):
+                gr.Markdown("### 📊 Results")
+                
+                # Summary tab
+                with gr.Tabs():
+                    with gr.TabItem("📈 Summary"):
+                        summary_output = gr.Markdown()
+                    
+                    with gr.TabItem("📋 Detailed Results"):
+                        detailed_output = gr.Markdown()
+                    
+                    with gr.TabItem("📊 Entity Visualization"):
+                        entity_plot = gr.Plot()
+                    
+                    with gr.TabItem("🎯 Confidence & Timing"):
+                        confidence_plot = gr.Plot()
+        
+        # Event handlers
+        load_btn.click(
+            fn=load_model,
+            outputs=model_status
+        )
+        
+        analyze_btn.click(
+            fn=analyze_procedure,
+            inputs=[procedure_input, gr.State(True), temperature_slider],
+            outputs=[summary_output, detailed_output, entity_plot, confidence_plot]
+        )
+        
+        clear_btn.click(
+            fn=lambda: ("", "", "", "", ""),
+            outputs=[procedure_input, summary_output, detailed_output, entity_plot, confidence_plot]
+        )
+        
+        # Footer
+        gr.Markdown("""
+        ---
+        **About RxNExtract:** This tool uses advanced natural language processing to extract chemical entities, 
+        reaction conditions, and procedural information from synthetic chemistry procedures.
+        
+        **Powered by:** Hugging Face Transformers, Gradio, and the ChemPlusX team.
+        """)
+    
+    return demo
+
+# Main execution
+if __name__ == "__main__":
+    # Create and launch the interface
+    demo = create_interface()
+    
+    # Launch with appropriate settings for Hugging Face Spaces
+    demo.launch(
+        server_name="0.0.0.0",  # Required for Hugging Face Spaces
+        server_port=7860,       # Default port for Hugging Face Spaces
+        share=False,            # Don't create public links
+        debug=False,            # Disable debug mode in production
+        show_error=True         # Show errors in the interface
+    )