import torch import pickle # Example SMILES strings smiles_list = ["CC(=O)OC1=CC=CC=C1C(=O)O", "C1CCCCC1", "CCN(CC)CC"] # Create 256-D random embeddings embeddings_dict = {smi: torch.randn(256) for smi in smiles_list} # Save to embeddings.pkl with open("data/processed/embeddings.pkl", "wb") as f: pickle.dump(embeddings_dict, f) print("Saved dummy embeddings to data/processed/embeddings.pkl")