runs/20260125_104915_KIBA/run_summary.json

{
  "run_id": "20260125_104915_KIBA",
  "dataset": "KIBA",
  "drug_encoding": "Morgan",
  "target_encoding": "CNN",
  "epochs": 10,
  "batch": 256,
  "lr": 0.0001,
  "seed": 1,
  "label_transform": "paffinity_nm",
  "harmonize_bindingdb": "mean",
  "max_rows_bindingdb": 200000,
  "n_rows_after_clean": 117656,
  "metrics_test": {
    "mse": 0.0008136280107160384,
    "rmse": 0.02852416538158546,
    "mae": 0.02173921931235661,
    "pearson": 0.5219437424590958,
    "spearman": 0.5363350002121534,
    "ci_approx": 0.7031028951074637
  },
  "files": {
    "predictions_test_csv": "c:\\Users\\hamza\\Downloads\\Free Spitfire 3D printed RC plane - 2118624\\files\\runs\\20260125_104915_KIBA\\predictions_test.csv",
    "scatter_png": "c:\\Users\\hamza\\Downloads\\Free Spitfire 3D printed RC plane - 2118624\\files\\runs\\20260125_104915_KIBA\\scatter.png",
    "curves_sorted_png": "c:\\Users\\hamza\\Downloads\\Free Spitfire 3D printed RC plane - 2118624\\files\\runs\\20260125_104915_KIBA\\curves_sorted.png",
    "residuals_png": "c:\\Users\\hamza\\Downloads\\Free Spitfire 3D printed RC plane - 2118624\\files\\runs\\20260125_104915_KIBA\\residuals.png",
    "hist_true_pred_png": "c:\\Users\\hamza\\Downloads\\Free Spitfire 3D printed RC plane - 2118624\\files\\runs\\20260125_104915_KIBA\\hist_true_pred.png",
    "ecdf_true_pred_png": "c:\\Users\\hamza\\Downloads\\Free Spitfire 3D printed RC plane - 2118624\\files\\runs\\20260125_104915_KIBA\\ecdf_true_pred.png"
  },
  "timing": {
    "total_seconds": 26236.644289016724,
    "train_seconds": 13280.412281274796
  }
}