File size: 1,336 Bytes
504d922 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 | {
"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
}
} |