pab1 · Graph CNN
reference_pab1_gcn_modulof1_20261104-153808
Metrics
| Set | mse | pearsonr | spearmanr | r2 | above_wt_n | above_wt_spearmanr | budget_to_max | hit_rate_at_10 | mean_at_10 | max_at_10 | precision_at_10 | captured_at_10 | hit_rate_at_50 | mean_at_50 | max_at_50 | precision_at_50 | captured_at_50 | hit_rate_at_100 | mean_at_100 | max_at_100 | precision_at_100 | captured_at_100 | hit_rate_at_1pct | mean_at_1pct | max_at_1pct | precision_at_1pct | captured_at_1pct | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| train | 3.4127 | 0.5570 | 0.5494 | 0.0500 | 1937.0000 | 0.1123 | 5812.0000 | 0.0000 | -0.3804 | -0.0534 | 0.0000 | 0.4986 | 0.1400 | -0.4858 | 0.3070 | 0.0000 | 0.5038 | 0.1300 | -0.5399 | 0.4496 | 0.0000 | 0.5043 | 0.1611 | -0.4976 | 0.4496 | 0.0067 | 0.5358 | ||||
| validation | 3.6341 | -0.1914 | -0.1925 | -0.0124 | 116.0000 | 0.1324 | 301.0000 | 0.0000 | -3.3478 | -0.6215 | 0.0000 | 0.0000 | -0.5796 | 0.0600 | -2.4358 | 0.4035 | 0.0200 | 0.0000 | -0.2274 | 0.0300 | -2.5109 | 0.4035 | 0.0100 | 0.0000 | -0.2747 | 0.0000 | -2.9604 | -0.1010 | 0.0000 | 0.0000 | -0.4289 |
| test | 4.1948 | -0.0722 | -0.1026 | -0.0509 | 132.0000 | -0.0156 | 159.0000 | 0.0000 | -2.8947 | -1.1037 | 0.0000 | 0.0000 | -0.2311 | 0.0000 | -2.8734 | -0.0079 | 0.0000 | 0.0000 | -0.2523 | 0.0000 | -2.8857 | -0.0079 | 0.0000 | 0.0000 | -0.2688 | 0.0000 | -2.5882 | -0.0079 | 0.0000 | 0.0000 | -0.1292 |
Loss per epoch
training
validation
Config
name: reference_pab1_gcn_modulof1 task: dms data: dataset: pab1 encoding: one_hot,aa_index split_dir: null graph_threshold: 7 split_scheme: modulo split_fold: 1 model: name: gcn filters: - 32 hidden: - 100 dropout: 0.2 train: epochs: 300 batch_size: 128 learning_rate: 0.0001 patience: 15 min_delta: 1.0e-05 seed: 7