config/config.json

{
  "seed": 42,
  "dataset": {
    "name": "ml-jku/tox21"
  },
  "features": {
    "type": "ecfp",
    "radius": 2,
    "n_bits": 1024,
    "use_counts": false,
    "map4_dim": 1024,
    "cache_dir": "./checkpoints/cache"
  },
  "training": {
    "optuna_trials": 1000,
    "n_estimators": [50, 500, 1000],
    "early_stopping_rounds": 100,
    "lightgbm_params": {
      "objective": "binary",
      "metric": "auc",
      "verbosity": -1
    }
  },
  "multitask": {
    "enabled": true,
    "prediction_source": "oof"
  },
  "output": {
    "checkpoint_dir": "./checkpoints"
  }
}