| { |
| "run_id": "reference_sample", |
| "dataset_manifest_hash": "c91cec32586f717fdab67b24babf41e6dd00ea7751442d2929a5020667f97c7a", |
| "ligand_file_hash": "dc3f396a6573ed23c2afa1a49a9c262327fcc3bc9af73c51b17c65b83118a23f", |
| "target_config_hash": "e4eab03ffcbd47be6eca62140358a535bd79be4a8d634eb3ad9d9a9aeb5b8bbd", |
| "strategy": "cluster_only_triage", |
| "reference_mode": "sampled", |
| "evaluation_pool_mode": "same_pool", |
| "reference_sample_seed": 42, |
| "reference_sample_size": 300, |
| "fidelity_levels": [ |
| 5, |
| 10, |
| 15, |
| 30, |
| 50 |
| ], |
| "cost_budget_runs": 15000, |
| "final_fidelity_runs": 50, |
| "rdock_version": "The rDock program is\u00a0licensed under GNU-LGPLv3.0. http://rdock.sourceforge.net/", |
| "command_args": { |
| "balanced_baselines": true, |
| "outlier_policy": "downrank", |
| "intra_z_threshold": 4.0, |
| "score_z_threshold": 5.0, |
| "max_intra_fraction": 0.75, |
| "exploration_fraction": 0.35, |
| "diversity_weight": 0.75, |
| "uncertainty_weight": 0.35, |
| "outlier_risk_weight": 2.0, |
| "cluster_min_coverage": 1, |
| "triage_retain_fraction": 0.05, |
| "triage_target_recall": 0.98, |
| "calibration_size": 0, |
| "fidelity_validation_size": 0, |
| "promotion_policy": "conservative", |
| "min_final_ligands": 20, |
| "use_reference_features": false, |
| "production_reference_free_mode": false |
| } |
| } |
