Protein Engineering

bgl3 · Graph CNN

reference_bgl3_gcn_mr5_contiguousf2_20261104-222144

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
train1.70020.62680.68750.0382152.00000.0331733.00000.3000-0.21090.39400.10000.00000.62620.1600-0.46590.39400.10000.00000.58100.1600-0.41310.40080.12000.00000.64710.1562-0.43380.39400.09380.00000.5753
validation1.8092-0.1079-0.1064-0.001238.0000-0.0758229.00000.0000-2.5024-0.35950.00000.0000-0.45190.0000-2.3082-0.09490.00000.0000-0.45940.0000-2.2256-0.06070.03000.0000-0.44810.0000-2.2850-0.11140.00000.0000-0.3560
test1.9533-0.3703-0.3569-0.024726.0000-0.1132784.00000.0000-3.4132-2.13840.00000.0000-0.80200.0000-3.0912-0.17940.00000.0000-0.73700.0000-2.9417-0.17940.01000.0000-0.70010.0000-3.4689-2.13840.00000.0000-0.8392

Loss per epoch

training validation

Config

name: reference_bgl3_gcn_mr5_contiguousf2
task: dms
data:
  dataset: bgl3
  encoding: one_hot,aa_index
  split_dir: null
  graph_threshold: 6
  split_scheme: contiguous
  split_fold: 2
  min_reads: 5
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