Update app.py

app.py

@@ -14,6 +14,7 @@ torch.manual_seed(int(time.time()))
 if torch.cuda.is_available():
     torch.cuda.manual_seed_all(int(time.time()))
 
+# تحميل النموذج
 model_name = "ncfrey/ChemGPT-1.2B"
 tokenizer = AutoTokenizer.from_pretrained(model_name)
 model = AutoModelForCausalLM.from_pretrained(model_name)
@@ -64,7 +65,9 @@ def generate_multiple_valid_smiles(prompt, n=10, max_length=100):
 
 def generate_from_pdb(pdb_file):
     try:
-        pdb_str = pdb_file.read().decode('utf-8', errors='ignore')
+        with open(pdb_file.name, 'r', encoding='utf-8', errors='ignore') as f:
+            pdb_str = f.read()
+
         if len(pdb_str.strip()) == 0:
             return "❌ الملف فارغ أو غير صالح", None, None
 
@@ -75,6 +78,7 @@ def generate_from_pdb(pdb_file):
             return f"❌ خطأ أثناء تحليل ملف PDB:\n{str(e)}", None, None
 
         html_3d = get_protein_3d_html(pdb_str)
+
         prompt = "Generate a molecule in SELFIES that binds to the mutated KRAS protein"
         smiles_list = generate_multiple_valid_smiles(prompt, n=10)
 
@@ -87,6 +91,7 @@ def generate_from_pdb(pdb_file):
             f.write(smiles_txt)
 
         return "✅ تم توليد المركبات بنجاح", html_3d, smiles_file_path
+
     except Exception as e:
         return f"❌ حدث خطأ:\n{str(e)}", None, None
 
@@ -98,12 +103,18 @@ h1 {color: #004d66; text-align: center;}
 with gr.Blocks(css=css) as demo:
     gr.Markdown("<h1>🔬 Drug-like Molecule Generation from PDB using ChemGPT</h1>")
     gr.Markdown("🧪 Upload a PDB file containing mutations in the KRAS protein. The system will generate suitable SMILES drug candidates.")
+
     with gr.Row():
         pdb_input = gr.File(label="📁 Upload PDB File")
-        run_btn = gr.Button("🚀 Generate Compounds")
+        run_btn = gr.Button("🚀 Generate Molecules")
     status = gr.Textbox(label="📢 Status")
-    view3d = gr.HTML(label="🧬 3D Structure Viewer")
+    view3d = gr.HTML(label="🧬 3D Structure View")
     file_output = gr.File(label="📄 Download SMILES File")
-    run_btn.click(fn=generate_from_pdb, inputs=pdb_input, outputs=[status, view3d, file_output])
+    run_btn.click(
+        fn=generate_from_pdb,
+        inputs=pdb_input,
+        outputs=[status, view3d, file_output]
+    )
 
-demo.launch()
+if __name__ == "__main__":
+    demo.launch()