{ "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 }