Protein Engineering

bgl3 · Graph CNN

reference_bgl3_gcn_contiguousf2_20261104-163932

Metrics

Setmsepearsonrspearmanrr2above_wt_nabove_wt_spearmanrbudget_to_maxhit_rate_at_10mean_at_10max_at_10precision_at_10tie_share_at_10captured_at_10hit_rate_at_50mean_at_50max_at_50precision_at_50tie_share_at_50captured_at_50hit_rate_at_100mean_at_100max_at_100precision_at_100tie_share_at_100captured_at_100hit_rate_at_1pctmean_at_1pctmax_at_1pctprecision_at_1pcttie_share_at_1pctcaptured_at_1pct
train1.81590.46530.47670.02724995.00000.09183121.00000.50000.32502.08410.00000.00000.20150.46000.02402.36370.00000.00000.13050.53000.17422.54190.04000.00000.19230.56620.20672.54190.05150.00000.2091
validation1.9478-0.0806-0.0604-0.00571899.0000-0.00984179.00000.2000-1.47381.62900.00000.0000-0.37480.2000-1.16931.62900.00000.0000-0.32110.3100-0.82991.62900.00000.0000-0.21170.2041-1.17481.62900.00000.0000-0.3225
test2.1482-0.0920-0.0726-0.00621465.00000.01213332.00000.4000-1.16282.08410.00000.0000-0.20600.2800-1.23612.08410.00000.0000-0.25900.2500-1.40162.72760.02000.0000-0.33910.2558-1.22262.08410.00000.0000-0.2507

Loss per epoch

training validation

Config

name: reference_bgl3_gcn_contiguousf2
task: dms
data:
  dataset: bgl3
  encoding: one_hot,aa_index
  split_dir: null
  graph_threshold: 6
  split_scheme: contiguous
  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