{ "raw_data_dir": "../../data/raw", "protein_graphs": "../../data/external/protein_graphs_esmc_600m", "ligand_features": "../../data/features/ligand_chemberta_moad3179.pt", "fold_split": "../../data/splits/moad_5fold_split_seed42.csv", "acquisition_dir": "/absolute/path/to/expanded/acquisition/root", "downstream_dir": "/absolute/path/to/expanded/downstream/root", "molas_score_matrix": null, "acquisition_score_matrix": null, "training_python": "/absolute/path/to/prepared/molas/environment/bin/python" }