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polyedit-artifacts
File size: 2,107 Bytes
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{
  "backend": "transpolymer",
  "model_name": "ChangwenXu/TransPolymer",
  "properties": [
    "Egc",
    "Egb",
    "Eea",
    "Ei",
    "EPS",
    "Nc",
    "Xc",
    "Eat"
  ],
  "train_polymers": 2418,
  "val_polymers": 278,
  "test_polymers": 953,
  "extra_data": "/home/sjkim/POLYEDIT/data/real/raw",
  "best_val_masked_mse": 0.15125326965456812,
  "test_rmse": {
    "Egc": 0.48524454423656765,
    "Egb": 0.7118087791044776,
    "Eea": 0.3890364133528879,
    "Ei": 0.4691280685135263,
    "EPS": 0.5681968782282112,
    "Nc": 0.08602049014875544,
    "Xc": 24.7798177041255,
    "Eat": 0.11028752787892487
  },
  "test_mae": {
    "Egc": 0.35876839130519034,
    "Egb": 0.4806093437479828,
    "Eea": 0.2945058420123421,
    "Ei": 0.32540668767820724,
    "EPS": 0.3939415076820483,
    "Nc": 0.06166796822060484,
    "Xc": 20.050388171212226,
    "Eat": 0.07971674222455806
  },
  "test_rmse_over_interval": {
    "Egc": 4.852445442365676,
    "Egb": 7.1180877910447755,
    "Eea": 3.890364133528879,
    "Ei": 4.691280685135262,
    "EPS": 5.681968782282111,
    "Nc": 1.7204098029751087,
    "Xc": 12.38990885206275,
    "Eat": 1.1028752787892486
  },
  "test_ranking": {
    "Egc": {
      "spearman": 0.9436914310440555,
      "pairwise_acc": 0.8964291080282466,
      "n": 917
    },
    "Egb": {
      "spearman": 0.9500344447506199,
      "pairwise_acc": 0.9056736519423086,
      "n": 191
    },
    "Eea": {
      "spearman": 0.9400483633892304,
      "pairwise_acc": 0.8920809015898571,
      "n": 156
    },
    "Ei": {
      "spearman": 0.8857738932528328,
      "pairwise_acc": 0.8722322866344605,
      "n": 156
    },
    "EPS": {
      "spearman": 0.8705091296271269,
      "pairwise_acc": 0.8511688835147118,
      "n": 158
    },
    "Nc": {
      "spearman": 0.9548039959900145,
      "pairwise_acc": 0.9044169433544622,
      "n": 158
    },
    "Xc": {
      "spearman": 0.22682576625727835,
      "pairwise_acc": 0.5720068818945451,
      "n": 105
    },
    "Eat": {
      "spearman": 0.9593915669844432,
      "pairwise_acc": 0.9114409774815713,
      "n": 160
    }
  }
}