pab1 · Graph CNN

reference_pab1_gcn_modulof3_20261104-161521

Metrics

Set	mse	pearsonr	spearmanr	r2	above_wt_n	above_wt_spearmanr	budget_to_max	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	2.1933	0.6849	0.6811	0.4047	1256.0000	0.0479	3010.0000	-0.3208	-0.0217	0.5574	0.0800	-0.4273	0.3718	0.0000	0.5746	0.0800	-0.4119	0.3718	0.0000	0.6145	0.1081	-0.3853	0.3718	0.0068	0.6433
validation	3.6564	0.1528	0.1038	0.0165	234.0000	0.2170	1337.0000	-2.8401	-0.1725	0.0000	-0.5263	0.1000	-2.0946	0.4492	0.0600	0.0000	-0.2139	0.0900	-1.9771	0.4492	0.0500	0.0000	-0.1644	0.0000	-2.4905	-0.1725	0.0000	0.0000	-0.3792
test	3.5314	-0.0205	-0.0366	-0.0103	223.0000	-0.1060	1001.0000	-0.8491	-0.0834	0.0000	0.3443	0.0200	-1.9069	0.1330	0.0000	0.0000	-0.1108	0.0700	-2.3544	0.4152	0.0300	0.0000	-0.3408	0.0000	-1.5977	-0.0834	0.0000	0.0000	0.0324

Loss per epoch

training validation

Config

name: reference_pab1_gcn_modulof3
task: dms
data:
  dataset: pab1
  encoding: one_hot,aa_index
  split_dir: null
  graph_threshold: 7
  split_scheme: modulo
  split_fold: 3
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