pab1 · Graph CNN

reference_pab1_gcn_plm_modulof2_20261104-184228

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	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	0.5708	0.9318	0.9197	0.8493	1717.0000	0.0269	818.0000	0.6000	-0.0245	0.2578	0.6284	0.7600	0.1021	0.6046	0.0000	0.7339	0.6600	0.0502	0.6046	0.0300	0.7554	0.6275	0.0583	0.8532	0.0458	0.7842
validation	1.3330	0.7938	0.7456	0.6186	223.0000	0.1387	520.0000	0.2000	-0.1826	0.3577	0.6231	0.3200	-0.1923	0.7491	0.1200	0.6989	0.3200	-0.1789	0.7491	0.1500	0.7461	0.2500	-0.1842	0.6443	0.0625	0.6452
test	1.4369	0.7804	0.7726	0.5997	116.0000	-0.2008	205.0000	0.2000	-0.4241	0.1004	0.6155	0.2800	-0.2429	0.3217	0.0800	0.7581	0.2700	-0.2377	0.4214	0.2300	0.8000	0.2143	-0.3889	0.1479	0.0000	0.6413

Loss per epoch

training validation

Config

name: reference_pab1_gcn_plm_modulof2
task: dms
data:
  dataset: pab1
  encoding: one_hot,aa_index,plm,plm_sum
  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