| import os | |
| import pandas as pd | |
| import glob | |
| file_path = "./raw/*.csv" | |
| # Extract active compounds from the datasets | |
| for file in glob.glob(file_path): | |
| name = os.path.splitext(os.path.basename(file))[0] | |
| output_path = f"./active/{name}_active.csv" | |
| if os.path.exists(output_path): | |
| print(f"Skipping {name}, already exists.") | |
| continue | |
| raw_df = pd.read_csv(file) | |
| active_df = raw_df[raw_df['AssayOutcome'] == 'Active'] | |
| # Save new CSV file | |
| active_df.to_csv(output_path, index=False) | |
| print(f"Saved {len(active_df)} active compounds out of {len(raw_df)} to {output_path}") | |