Spaces:
Running
Running
adding filter for training set
Browse files
about.py
CHANGED
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@@ -61,6 +61,8 @@ COLUMN_DISPLAY_NAMES = {
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'hhi_production_mean': 'HHI Production',
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'hhi_reserve_mean': 'HHI Reserve',
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'hhi_combined_mean': 'HHI Combined',
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}
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# Metrics that can be shown as percentages (count-based metrics)
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@@ -152,6 +154,7 @@ COLUMN_TO_GROUP = get_column_to_group_mapping()
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# Compact view columns (most important metrics visible without scrolling)
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COMPACT_VIEW_COLUMNS = [
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'model_name',
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'overall_valid_count',
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'unique_count',
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'novel_count',
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'hhi_production_mean': 'HHI Production',
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'hhi_reserve_mean': 'HHI Reserve',
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'hhi_combined_mean': 'HHI Combined',
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# Metadata columns
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'training_set': 'Training Set',
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}
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# Metrics that can be shown as percentages (count-based metrics)
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# Compact view columns (most important metrics visible without scrolling)
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COMPACT_VIEW_COLUMNS = [
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'model_name',
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'training_set',
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'overall_valid_count',
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'unique_count',
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'novel_count',
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app.py
CHANGED
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@@ -45,6 +45,8 @@ def format_dataframe(df, show_percentage=False, selected_groups=None, compact_vi
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selected_cols = [col for col in COMPACT_VIEW_COLUMNS if col in df.columns]
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else:
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# Build from selected groups
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if 'n_structures' in df.columns:
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selected_cols.append('n_structures')
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@@ -73,6 +75,12 @@ def format_dataframe(df, show_percentage=False, selected_groups=None, compact_vi
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name = row['model_name']
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symbols = []
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# Add relaxed symbol
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if 'relaxed' in df.columns and row.get('relaxed', False):
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symbols.append('β‘')
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@@ -109,16 +117,28 @@ def format_dataframe(df, show_percentage=False, selected_groups=None, compact_vi
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if display_df[col].dtype in ['float64', 'float32']:
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display_df[col] = display_df[col].round(4)
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# Rename columns for display
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display_df = display_df.rename(columns=COLUMN_DISPLAY_NAMES)
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# Apply color coding based on metric groups
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styled_df = apply_color_styling(display_df, selected_cols)
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return styled_df
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def apply_color_styling(display_df, original_cols):
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"""Apply background colors to dataframe based on metric groups using pandas Styler."""
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def style_by_group(x):
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# Create a DataFrame with the same shape filled with empty strings
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@@ -136,12 +156,20 @@ def apply_color_styling(display_df, original_cols):
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if color:
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styles[display_col] = f'background-color: {color}'
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return styles
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# Apply the styling function
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return display_df.style.apply(style_by_group, axis=None)
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-
def update_leaderboard(show_percentage, selected_groups, compact_view, cached_df, sort_by, sort_direction):
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"""Update the leaderboard based on user selections.
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Uses cached dataframe to avoid re-downloading data on every change.
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@@ -149,6 +177,10 @@ def update_leaderboard(show_percentage, selected_groups, compact_view, cached_df
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# Use cached dataframe instead of re-downloading
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df_to_format = cached_df.copy()
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# Convert display name back to raw column name for sorting
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if sort_by and sort_by != "None":
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# Create reverse mapping from display names to raw column names
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@@ -321,6 +353,12 @@ Generative machine learning models hold great promise for accelerating materials
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value="Descending",
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label="Sort Direction"
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)
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with gr.Column(scale=2):
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selected_groups = gr.CheckboxGroup(
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choices=list(METRIC_GROUPS.keys()),
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@@ -353,27 +391,32 @@ Generative machine learning models hold great promise for accelerating materials
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# Update dataframe when options change (using cached data)
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show_percentage.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction],
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outputs=leaderboard_table
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)
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selected_groups.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction],
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outputs=leaderboard_table
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)
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compact_view.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction],
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outputs=leaderboard_table
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)
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sort_by.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction],
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outputs=leaderboard_table
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)
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sort_direction.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction],
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outputs=leaderboard_table
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)
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@@ -382,12 +425,15 @@ Generative machine learning models hold great promise for accelerating materials
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gr.Markdown("""
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**Symbol Legend:**
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- β
Model output verified
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- β‘ Structures were already relaxed
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- β
Contributes to LeMat-Bulk reference dataset (in-distribution)
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- β Out-of-distribution relative to LeMat-Bulk reference dataset
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Verified submissions mean the results came from a model submission rather than a CIF submission.
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""")
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with gr.TabItem("βοΈ Submit", elem_id="boundary-benchmark-tab-table"):
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selected_cols = [col for col in COMPACT_VIEW_COLUMNS if col in df.columns]
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else:
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# Build from selected groups
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if 'training_set' in df.columns:
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selected_cols.append('training_set')
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if 'n_structures' in df.columns:
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selected_cols.append('n_structures')
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name = row['model_name']
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symbols = []
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# Add paper link emoji
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if 'paper_link' in df.columns:
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paper_val = row.get('paper_link', None)
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if paper_val and isinstance(paper_val, str) and paper_val.strip():
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symbols.append(f'<a href="{paper_val.strip()}" target="_blank">π</a>')
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# Add relaxed symbol
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if 'relaxed' in df.columns and row.get('relaxed', False):
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symbols.append('β‘')
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if display_df[col].dtype in ['float64', 'float32']:
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display_df[col] = display_df[col].round(4)
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# Separate baseline models to the bottom
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baseline_indices = set()
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if 'notes' in df.columns:
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is_baseline = df['notes'].fillna('').str.contains('baseline', case=False, na=False)
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non_baseline_df = display_df[~is_baseline]
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baseline_df = display_df[is_baseline]
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display_df = pd.concat([non_baseline_df, baseline_df]).reset_index(drop=True)
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# Track baseline row indices in the new dataframe
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baseline_indices = set(range(len(non_baseline_df), len(display_df)))
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# Rename columns for display
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display_df = display_df.rename(columns=COLUMN_DISPLAY_NAMES)
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# Apply color coding based on metric groups
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styled_df = apply_color_styling(display_df, selected_cols, baseline_indices)
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return styled_df
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+
def apply_color_styling(display_df, original_cols, baseline_indices=None):
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"""Apply background colors to dataframe based on metric groups using pandas Styler."""
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if baseline_indices is None:
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baseline_indices = set()
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def style_by_group(x):
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# Create a DataFrame with the same shape filled with empty strings
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if color:
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styles[display_col] = f'background-color: {color}'
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# Add thick top border to the first baseline row as a separator
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if baseline_indices:
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first_baseline_idx = min(baseline_indices)
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for col in x.columns:
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current = styles.at[first_baseline_idx, col]
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separator_style = 'border-top: 3px solid #555'
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styles.at[first_baseline_idx, col] = f'{current}; {separator_style}' if current else separator_style
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return styles
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# Apply the styling function
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return display_df.style.apply(style_by_group, axis=None)
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def update_leaderboard(show_percentage, selected_groups, compact_view, cached_df, sort_by, sort_direction, training_set_filter):
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"""Update the leaderboard based on user selections.
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Uses cached dataframe to avoid re-downloading data on every change.
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# Use cached dataframe instead of re-downloading
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df_to_format = cached_df.copy()
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# Apply training set filter
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if training_set_filter and training_set_filter != "All" and 'training_set' in df_to_format.columns:
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df_to_format = df_to_format[df_to_format['training_set'] == training_set_filter]
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# Convert display name back to raw column name for sorting
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if sort_by and sort_by != "None":
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# Create reverse mapping from display names to raw column names
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value="Descending",
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label="Sort Direction"
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)
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training_set_filter = gr.Dropdown(
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choices=["All"] + TRAINING_DATASETS,
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value="All",
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label="Filter by Training Set",
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info="Show only models trained on a specific dataset"
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)
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with gr.Column(scale=2):
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selected_groups = gr.CheckboxGroup(
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choices=list(METRIC_GROUPS.keys()),
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# Update dataframe when options change (using cached data)
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show_percentage.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction, training_set_filter],
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outputs=leaderboard_table
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)
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selected_groups.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction, training_set_filter],
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outputs=leaderboard_table
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)
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compact_view.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction, training_set_filter],
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outputs=leaderboard_table
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)
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sort_by.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction, training_set_filter],
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outputs=leaderboard_table
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)
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sort_direction.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction, training_set_filter],
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outputs=leaderboard_table
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)
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training_set_filter.change(
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fn=update_leaderboard,
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inputs=[show_percentage, selected_groups, compact_view, cached_df_state, sort_by, sort_direction, training_set_filter],
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outputs=leaderboard_table
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)
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gr.Markdown("""
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**Symbol Legend:**
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+
- π Paper available (click to view)
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- β
Model output verified
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- β‘ Structures were already relaxed
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- β
Contributes to LeMat-Bulk reference dataset (in-distribution)
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- β Out-of-distribution relative to LeMat-Bulk reference dataset
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Verified submissions mean the results came from a model submission rather than a CIF submission.
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Models marked as baselines appear below the separator line at the bottom of the table.
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""")
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with gr.TabItem("βοΈ Submit", elem_id="boundary-benchmark-tab-table"):
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