Datasets:
| { | |
| "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" | |
| } | |