pab1 · Graph CNN
reference_pab1_gcn_modulof2_20261104-163629
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 | tie_share_at_10 | captured_at_10 | hit_rate_at_50 | mean_at_50 | max_at_50 | precision_at_50 | tie_share_at_50 | captured_at_50 | hit_rate_at_100 | mean_at_100 | max_at_100 | precision_at_100 | tie_share_at_100 | captured_at_100 | hit_rate_at_1pct | mean_at_1pct | max_at_1pct | precision_at_1pct | tie_share_at_1pct | captured_at_1pct |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| train | 1.7032 | 0.7528 | 0.7433 | 0.5505 | 1717.0000 | 0.0873 | 3653.0000 | 0.7000 | 0.1323 | 0.6476 | 0.0000 | 0.0000 | 0.6797 | 0.5000 | -0.1245 | 0.6476 | 0.0200 | 0.0000 | 0.6528 | 0.3400 | -0.2004 | 0.6476 | 0.0100 | 0.0000 | 0.6606 | 0.3660 | -0.1865 | 0.8618 | 0.0523 | 0.0000 | 0.6885 |
| validation | 3.4990 | 0.0633 | 0.0009 | -0.0011 | 223.0000 | -0.1145 | 598.0000 | 0.0000 | -2.2671 | -0.0834 | 0.0000 | 0.0000 | -0.2487 | 0.0600 | -1.8067 | 0.4152 | 0.0200 | 0.0000 | -0.0634 | 0.0500 | -1.6488 | 0.4152 | 0.0200 | 0.0000 | 0.0118 | 0.0000 | -1.7636 | -0.0295 | 0.0000 | 0.0000 | -0.0395 |
| test | 3.6320 | 0.0528 | 0.0319 | -0.0118 | 116.0000 | 0.1255 | 457.0000 | 0.0000 | -3.4057 | -0.2629 | 0.0000 | 0.0000 | -0.6033 | 0.0800 | -2.3889 | 0.4935 | 0.0400 | 0.0000 | -0.2063 | 0.0600 | -2.2945 | 0.4935 | 0.0500 | 0.0000 | -0.1724 | 0.0000 | -2.9814 | -0.2629 | 0.0000 | 0.0000 | -0.4376 |
Loss per epoch
training
validation
Config
name: reference_pab1_gcn_modulof2 task: dms data: dataset: pab1 encoding: one_hot,aa_index split_dir: null graph_threshold: 7 split_scheme: modulo split_fold: 2 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