Upload 4 files

app.py

@@ -1,5 +1,7 @@
 import gradio as gr
 import os
+from fastapi import FastAPI
+from fastapi.responses import JSONResponse
 
 # Simplified molecular docking API using RDKit for basic binding affinity estimation
 # This avoids the complexity of DiffDock setup while providing functional drug screening
@@ -97,6 +99,19 @@ def run_diffdock_inference(protein_pdb_content, ligand_smiles_string):
             "diffdock_confidence_score": -1.0
         }
 
+# 🌐 FastAPI app for custom endpoints
+app = FastAPI()
+
+@app.get("/ping")
+async def ping():
+    """Health check endpoint for UptimeRobot monitoring"""
+    return JSONResponse({
+        "status": "online",
+        "service": "RDKit Drug-Likeness Engine",
+        "hardware": "HF_FREE_CPU_RDKIT_CORE",
+        "uptime": "active"
+    })
+
 # Create Gradio interface
 with gr.Blocks(title="GSS DiffDock Engine") as demo:
     gr.Markdown("# Gaston Software Solutions LLP — Window 8 Engine")
@@ -172,6 +187,6 @@ with gr.Blocks(title="GSS DiffDock Engine") as demo:
 # Launch with proper configuration for Hugging Face Spaces
 if __name__ == "__main__":
     demo.queue()
-    demo.launch()
+    demo.launch(app=app)  # Mount FastAPI app for custom endpoints
 
 # Made with Bob

requirements.txt

@@ -8,4 +8,5 @@ gradio==4.36.1
 pandas==2.2.1
 pyyaml==6.0.1
 scipy==1.12.0
-networkx==3.2.1
+networkx==3.2.1
+fastapi==0.109.0