Upload 2 files

app.py

@@ -158,46 +158,48 @@ def run_part2(pdb_id, uploaded_esm_file):
 
 # --- GRADIO INTERFACE ---
 
-# 1. Define the Biohub Theme
-biohub_theme = gr.themes.Soft(
-    primary_hue="emerald",
-    secondary_hue="slate",
+# 1. Simple Dark Theme with Blue and Emerald Accents
+dark_biohub = gr.themes.Base(
+    primary_hue="blue",
+    secondary_hue="emerald",
     neutral_hue="slate",
-    font=[gr.themes.GoogleFont("Inter"), "ui-sans-serif", "system-ui"],
 ).set(
-    # Custom CSS variable overrides for that "Glass" look
-    block_title_text_weight="600",
-    block_label_text_size="*text_sm",
-    input_background_fill="*neutral_50",
-    button_primary_background_fill="linear-gradient(90deg, #10b981, #34d399)",
-    button_primary_text_color="white",
-    border_color_primary="*neutral_200",
+    body_background_fill="#0f172a",
+    block_background_fill="#1e293b",
+    body_text_color="#f1f5f9",
+    button_primary_background_fill="#10b981",
+    button_primary_text_color="#ffffff",
 )
 
-# 2. Inject Custom CSS for the "Spice"
+# 2. Targeted CSS for the 3D Viewer & Header
 biohub_css = """
-.gradio-container {
-    background: radial-gradient(circle at top right, #f8fafc, #f1f5f9); /* Subtle depth */
+/* Remove the footer for a clean portfolio look */
+footer {display: none !important;}
+
+/* Fix the 3D viewer background to match the dark theme */
+#molecule-viewer {
+    background-color: #111827 !important;
+    border: 1px solid #374151 !important;
+    border-radius: 12px;
 }
+
+/* Header Styling */
 #biohub-header {
-    text-align: center;
-    padding: 20px;
-    background: #064e3b;
-    color: white;
-    border-radius: 15px;
-    margin-bottom: 20px;
-    box-shadow: 0 4px 6px -1px rgba(0, 0, 0, 0.1);
-}
-.gr-box {
-    border-radius: 12px !important;
-    border: 1px solid #e2e8f0 !important;
+    background: linear-gradient(135deg, #064e3b 0%, #1e40af 100%);
+    padding: 1.5rem;
+    border-radius: 12px;
+    border: 1px solid #10b981;
+    margin-bottom: 1rem;
 }
-footer {display: none !important;} /* Cleans up the portfolio look */
 """
 
-with gr.Blocks(theme=biohub_theme, css=biohub_css) as demo:
-    gr.Markdown("# broteinshake")
-    gr.Markdown("### AI-Driven Structural Mimicry & BBB-Shuttle Design")
+with gr.Blocks(theme=dark_biohub, css=biohub_css) as demo:
+    # Header
+    gr.HTML("""
+        <div id='biohub-header'>
+            <h1 style='color: white; margin: 0;'>🧪 BroteinShake</h1>
+        </div>
+    """)
     
     with gr.Tabs():
         # TAB 1: GENERATIVE DESIGN
@@ -243,7 +245,7 @@ with gr.Blocks(theme=biohub_theme, css=biohub_css) as demo:
             ]
             
             # This component ACTUALLY supports .pdb natively
-            protein_view = Molecule3D(label="3D Structure Viewer (Refined Shuttle)", reps=REPS)
+            protein_view = Molecule3D(label="3D Structure Viewer (Refined Shuttle)", reps=REPS, elem_id="molecule-viewer")
             
             with gr.Row():
                 esm_upload = gr.File(label="Upload ESM-Folded PDB", file_types=[".pdb"])
@@ -282,5 +284,6 @@ with gr.Blocks(theme=biohub_theme, css=biohub_css) as demo:
 
 # Launch the app
 if __name__ == "__main__":
-    # For HuggingFace Spaces, use share=False and default port
-    demo.launch(share=False)
+    # FORCE DARK MODE: Add the theme toggle directly to the URL
+    demo.launch(server_port=7860)
+    # Visit: http://127.0.0.1:7860/?__theme=dark

requirements.txt

@@ -1,5 +1,7 @@
 gradio==5.50.0
 gradio_molecule3d
+matplotlib
+pandas
 accelerate==1.12.0
 backports.zstd
 biopython==1.86