This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• hta_dataset_all_combinations.csv: polymerization reactions with head and tail atoms assigned by a Python script based on polymerization mechanisms and nucleophilic index from quantum chemistry atom population of Highest Occupied Molecular Orbital
• m2p_dataset_all_combinations.csv: polymerization reactions with head and tail atoms assigned by a modified version of a Python tool called Monomers to Polymers (M2P)
• trained_models.zip: zip file containing the Machine Learning training models (forward and retrosynthesis) where the config files are those with yml extensions and the model weights are those with pt extensions (pickle binary - can be read via pytorch)