| { | |
| "default_seeds": [42, 123, 456], | |
| "num_candidates_per_seed": 100, | |
| "num_samples_per_batch": 1, | |
| "optimization_steps": 128, | |
| "top_p": 1.0, | |
| "top_k": 200, | |
| "cascade_k": 8, | |
| "beta_min": 50.0, | |
| "beta_max": 50.0, | |
| "weights": [1.0, 1.0], | |
| "require_valid_x0": true, | |
| "max_x0_retries": 10, | |
| "targets": { | |
| "ERBB2": {"builder": "SSCpt", "smiles_length": 80}, | |
| "GNRHR": {"builder": "AoaDau", "smiles_length": 80}, | |
| "NRP1": {"builder": "DSPASN38", "smiles_length": 100} | |
| }, | |
| "representation_lengths": {"aa": 10, "uaa": 10} | |
| } | |