import os import pandas as pd from datasets import load_dataset from tqdm import tqdm # Create output directory os.makedirs("./datasets", exist_ok=True) # Get all available configurations configs = ["codeparrot_github-code-chemistry-python-default", "starcoder-chemistry-default"] all_dataframes = [] # Download and process each configuration for config in tqdm(configs, desc="Processing configurations"): print(f"\nLoading configuration: {config}") # Load dataset with all splits dataset = load_dataset("jablonkagroup/chempile-code", config, cache_dir="./datasets") # Process each split for split_name, split_data in dataset.items(): # Convert to DataFrame df = pd.DataFrame(split_data) df["config"] = config # Add configuration identifier df["split"] = split_name # Add split identifier all_dataframes.append(df) # Save individual split as CSV df.to_csv(f"./datasets/{config}_{split_name}.csv", index=False) # Merge all data into one large DataFrame print("\nMerging all data...") merged_df = pd.concat(all_dataframes, ignore_index=True) # Save merged dataset merged_output_path = "./datasets/chempile_code_complete.csv" merged_df.to_csv(merged_output_path, index=False) merged_df = pd.read_csv(merged_output_path) all_data_path = "./datasets/all_chempile_code" # Create output directories os.makedirs(all_data_path, exist_ok=True) # Replace with chunked saving after merging print("\nSaving in 500MB chunks...") MAX_SIZE_MB = 500 chunk_num = 1 rows_per_chunk = 50000 # Initial estimate start_idx = 0 while start_idx < len(merged_df): # Get chunk end_idx = min(start_idx + rows_per_chunk, len(merged_df)) chunk_df = merged_df.iloc[start_idx:end_idx] # Save and check size output_path = f"{all_data_path}/chempile_code_complete_{chunk_num:03d}.csv" chunk_df.to_csv(output_path, index=False) size_mb = os.path.getsize(output_path) / (1024 * 1024) # Adjust rows_per_chunk for next iteration based on actual size if size_mb > 0: rows_per_chunk = int(rows_per_chunk * (MAX_SIZE_MB / size_mb) * 0.95) print(f"Saved {output_path}: {size_mb:.1f}MB, {len(chunk_df):,} rows") start_idx = end_idx chunk_num += 1 print(f"\nTotal: {len(merged_df):,} rows in {chunk_num-1} files")