Update app.py

app.py

@@ -1,3 +1,4 @@
+# app.py
 from Bio import PDB
 from transformers import AutoTokenizer, AutoModelForCausalLM
 from rdkit import Chem
@@ -72,13 +73,13 @@ def generate_from_pdb(pdb_file):
             pdb_str = pdb_bytes.decode('utf-8', errors='ignore')
 
         if len(pdb_str.strip()) == 0:
-            return "❌ الملف فارغ أو غير صالح", None, None
+            return "❌ The file is empty or invalid.", None, None
 
         pdb_file_io = io.StringIO(pdb_str)
         try:
             load_pdb(pdb_file_io)
         except Exception as e:
-            return f"❌ خطأ أثناء تحليل ملف PDB:\n{str(e)}", None, None
+            return f"❌ Error parsing the PDB file:\n{str(e)}", None, None
 
         html_3d = get_protein_3d_html(pdb_str)
 
@@ -86,32 +87,55 @@ def generate_from_pdb(pdb_file):
         smiles_list = generate_multiple_valid_smiles(prompt, n=10)
 
         if not smiles_list:
-            return "❌ لم يتم توليد أي SMILES صالحة", html_3d, None
+            return "❌ No valid SMILES generated.", html_3d, None
 
         smiles_txt = "\n".join(smiles_list)
         smiles_file_path = "/tmp/generated_smiles.txt"
         with open(smiles_file_path, "w") as f:
             f.write(smiles_txt)
 
-        return "✅ تم توليد المركبات بنجاح", html_3d, smiles_file_path
+        return "✅ Molecules generated successfully.", html_3d, smiles_file_path
 
     except Exception as e:
-        return f"❌ حدث خطأ:\n{str(e)}", None, None
+        return f"❌ An unexpected error occurred:\n{str(e)}", None, None
 
+# CSS to beautify the interface
 css = """
-body {background-color: #f0f9ff;}
-h1 {color: #004d66; text-align: center;}
+body {
+    background-color: #f0f9ff;
+    font-family: 'Segoe UI', sans-serif;
+}
+h1 {
+    color: #003d66;
+    text-align: center;
+    font-size: 32px;
+}
+.gr-box {
+    border: 1px solid #cce7ff;
+    background-color: #ffffff;
+    border-radius: 15px;
+    padding: 20px;
+    box-shadow: 0 2px 8px rgba(0, 128, 255, 0.1);
+}
+button {
+    background-color: #007acc !important;
+    color: white !important;
+    font-weight: bold;
+    border-radius: 10px !important;
+}
 """
 
 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.")
-
+    gr.Markdown("""
+    <h1>🔬 Drug-like Molecule Generation from PDB using ChemGPT</h1>
+    <p>🧪 Upload a PDB file containing mutations in the KRAS protein. The system will generate suitable SMILES drug candidates.</p>
+    """)
     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(
@@ -120,4 +144,4 @@ with gr.Blocks(css=css) as demo:
         outputs=[status, view3d, file_output]
     )
 
-demo.launch()
+demo.launch(share=True)