| { |
| "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 |
| } |
| } |
| } |
