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{
"feature_config": {
"type": "ecfp",
"radius": 2,
"n_bits": 1024,
"use_counts": false,
"map4_dim": 1024,
"cache_dir": "./checkpoints/cache"
},
"target_names": [
"NR-AhR",
"NR-AR",
"NR-AR-LBD",
"NR-Aromatase",
"NR-ER",
"NR-ER-LBD",
"NR-PPAR-gamma",
"SR-ARE",
"SR-ATAD5",
"SR-HSE",
"SR-MMP",
"SR-p53"
],
"dataset": {
"name": "ml-jku/tox21"
},
"stage1": {
"model_dir": "checkpoints/stage1",
"metrics": "checkpoints/metrics_stage1.json"
},
"stage2": {
"enabled": true,
"model_dir": "checkpoints/stage2",
"metrics": "checkpoints/metrics_stage2.json"
},
"multitask": {
"enabled": true,
"prediction_source": "oof"
},
"seed": 42
} |