predict.py

"""
CatPred Prediction and Fingerprint Generation

This script uses the CatPred model to make predictions and generate fingerprints.
It serves as an entry point for running the prediction and fingerprinting process.

Usage:
    python script_name.py

The script will execute the catpred_predict_and_fp function and store the results.

Note: Ensure that the catpred package is properly installed and configured
before running this script.
"""

from catpred.train import catpred_predict_and_fp
import ipdb

def main():
    """
    Main function to execute the CatPred prediction and fingerprinting process.

    This function calls catpred_predict_and_fp() and stores the results.
    It can be extended to perform additional operations on the results if needed.

    Returns:
        dict: A dictionary containing the results of the prediction and fingerprinting process.
              The exact structure of this dictionary depends on the implementation of
              catpred_predict_and_fp().
    """
    results = catpred_predict_and_fp()
    return results

if __name__ == '__main__':
    # Execute the main function when the script is run
    results = main()
    
    # Uncomment the following line to drop into an interactive debugging session
    # ipdb.set_trace()

    # Add any additional processing or output of results here
    print("Prediction and fingerprinting completed.")