updated app.py to use flask

app.py

@@ -1,23 +1,45 @@
 import os
-import gradio as gr
+from flask import Flask, jsonify, request
+from core.config import EvolutionConfig
 
+# Silence HF noise
 os.environ["HF_HUB_DISABLE_PROGRESS_BARS"] = "1"
 os.environ["HF_HUB_DISABLE_TELEMETRY"] = "1"
 
 from applications.pure_predictor.main import run as run_pure_predictor
 from applications.molecule_generator.main import run as run_molecule_generator
-from core.config import EvolutionConfig
+
+app = Flask(__name__)
+
+
+@app.route("/")
+def home():
+    return {
+        "status": "ok",
+        "message": "Biofuel Optimiser HF Space is running",
+        "endpoints": ["/pure", "/generate"]
+    }
 
 
-def pure_predict(smiles):
+@app.route("/pure", methods=["GET"])
+def pure_predict():
+    smiles = request.args.get("smiles", "CCC")
+
     config = {
         "mode": "1",
         "smiles": smiles,
     }
-    return run_pure_predictor(config)
+
+    result = run_pure_predictor(config)
+    return jsonify(result)
 
 
-def generate_molecules(target_cn, generations, population_size):
+@app.route("/generate", methods=["GET"])
+def generate():
+    target_cn = float(request.args.get("target_cn", 55))
+    generations = int(request.args.get("generations", 1))
+    population_size = int(request.args.get("population_size", 50))
+
     config = EvolutionConfig(
         target_cn=target_cn,
         generations=generations,
@@ -25,32 +47,15 @@ def generate_molecules(target_cn, generations, population_size):
         minimize_ysi=False,
         maximize_cn=False,
     )
-    final_df, pareto_df = run_molecule_generator(config)
-
-    return final_df, pareto_df
-
 
-with gr.Blocks(title="Biofuel Optimiser – Generator Debug UI") as demo:
-    gr.Markdown("# 🧪 Molecule Generator Sanity Check")
-
-    with gr.Tab("Pure Predictor"):
-        smiles = gr.Textbox(label="SMILES", value="CCC")
-        out_json = gr.JSON()
-        gr.Button("Predict").click(pure_predict, smiles, out_json)
-
-    with gr.Tab("Molecule Generator"):
-        target_cn = gr.Number(label="Target CN", value=55)
-        generations = gr.Slider(1, 5, value=1, step=1)
-        pop_size = gr.Slider(10, 200, value=50, step=10)
+    final_df, pareto_df = run_molecule_generator(config)
 
-        out_final = gr.Dataframe(label="Final Population")
-        out_pareto = gr.Dataframe(label="Pareto Front")
+    return {
+        "final_population": final_df.to_dict(orient="records"),
+        "pareto_front": pareto_df.to_dict(orient="records"),
+    }
 
-        gr.Button("Generate").click(
-            generate_molecules,
-            inputs=[target_cn, generations, pop_size],
-            outputs=[out_final, out_pareto],
-        )
 
 if __name__ == "__main__":
-    demo.launch()
+    # HF Spaces expects port 7860
+    app.run(host="0.0.0.0", port=7860)

requirements.txt

@@ -15,4 +15,4 @@ joblib==1.5.2
 tqdm==4.67.1
 huggingface_hub==1.2.1
 pytest==9.0.2
-gradio==6.2.0
+flask