added more submission logic

app.py

@@ -131,9 +131,74 @@ def update_leaderboard(show_percentage, selected_groups, compact_view, cached_df
 def show_output_box(message):
     return gr.update(value=message, visible=True)
 
-def submit_cif_files(problem_type, cif_files, relaxed, profile: gr.OAuthProfile | None):
-    # TODO: Implement submission logic that includes the relaxed flag
-    return 
+def submit_cif_files(model_name, problem_type, cif_files, relaxed, profile: gr.OAuthProfile | None):
+    """Submit structures to the leaderboard."""
+    from huggingface_hub import upload_file
+
+    # Validate inputs
+    if not model_name or not model_name.strip():
+        return "Error: Please provide a model name.", None
+
+    if not problem_type:
+        return "Error: Please select a problem type.", None
+
+    if not cif_files:
+        return "Error: Please upload a file.", None
+
+    if not profile:
+        return "Error: Please log in to submit.", None
+
+    try:
+        username = profile.username
+        timestamp = datetime.now().isoformat()
+
+        # Create submission metadata
+        submission_data = {
+            "username": username,
+            "model_name": model_name.strip(),
+            "problem_type": problem_type,
+            "relaxed": relaxed,
+            "timestamp": timestamp,
+            "file_name": Path(cif_files).name
+        }
+
+        # Create a unique submission ID
+        submission_id = f"{username}_{model_name.strip().replace(' ', '_')}_{timestamp.replace(':', '-')}"
+
+        # Upload the submission file
+        file_path = Path(cif_files)
+        uploaded_file_path = f"submissions/{submission_id}/{file_path.name}"
+
+        upload_file(
+            path_or_fileobj=str(file_path),
+            path_in_repo=uploaded_file_path,
+            repo_id=submissions_repo,
+            token=TOKEN,
+            repo_type="dataset"
+        )
+
+        # Upload metadata as JSON
+        metadata_path = f"submissions/{submission_id}/metadata.json"
+        import tempfile
+        with tempfile.NamedTemporaryFile(mode='w', suffix='.json', delete=False) as f:
+            json.dump(submission_data, f, indent=2)
+            temp_metadata_path = f.name
+
+        upload_file(
+            path_or_fileobj=temp_metadata_path,
+            path_in_repo=metadata_path,
+            repo_id=submissions_repo,
+            token=TOKEN,
+            repo_type="dataset"
+        )
+
+        # Clean up temp file
+        os.unlink(temp_metadata_path)
+
+        return f"Success! Submitted {model_name} for {problem_type} evaluation. Submission ID: {submission_id}", submission_id
+
+    except Exception as e:
+        return f"Error during submission: {str(e)}", None 
 
 def generate_metric_legend_html():
     """Generate HTML table with color-coded metric group legend."""
@@ -287,15 +352,19 @@ def gradio_interface() -> gr.Blocks:
 
                 with gr.Row():
                     with gr.Column():
+                        model_name_input = gr.Textbox(
+                            label="Model Name",
+                            placeholder="Enter your model name",
+                            info="Provide a name for your model/method"
+                        )
                         problem_type = gr.Dropdown(PROBLEM_TYPES, label="Problem Type")
                     with gr.Column():
                         cif_file = gr.File(label="Upload a CSV, a pkl, or a ZIP of CIF files.")
-
-                relaxed = gr.Checkbox(
-                    value=False,
-                    label="Structures are already relaxed",
-                    info="Check this box if your submitted structures have already been relaxed"
-                )
+                        relaxed = gr.Checkbox(
+                            value=False,
+                            label="Structures are already relaxed",
+                            info="Check this box if your submitted structures have already been relaxed"
+                        )
 
                 submit_btn = gr.Button("Submission")
                 message = gr.Textbox(label="Status", lines=1, visible=False)
@@ -304,7 +373,7 @@ def gradio_interface() -> gr.Blocks:
                 
                 submit_btn.click(
                     submit_cif_files,
-                    inputs=[problem_type, cif_file, relaxed],
+                    inputs=[model_name_input, problem_type, cif_file, relaxed],
                     outputs=[message, filename],
                 ).then(
                     fn=show_output_box,