Protein Engineering

bgl3 · Graph CNN

reference_bgl3_gcn_mr5_contiguousf0_20261104-221743

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
train1.79540.59220.70750.0877156.00000.0443216.00000.3000-0.39830.39400.00000.00000.53290.1400-0.59000.39400.06000.00000.53100.1600-0.53000.48560.12000.00000.59820.1429-0.54310.39400.08570.00000.5351
validation1.4411-0.2271-0.2241-0.004440.00000.1134221.00000.0000-3.0179-1.80190.00000.0000-1.03590.0200-2.64790.18400.02000.0000-1.01530.0300-2.35470.18400.03000.0000-0.87490.0000-2.9182-1.80190.00000.0000-0.9613
test2.0132-0.1067-0.1647-0.185621.0000-0.1312397.00000.0000-2.8849-1.96900.00000.0000-0.48940.0000-2.7611-0.16880.00000.0000-0.49600.0000-2.5107-0.01490.03000.0000-0.38740.0000-2.5295-0.49700.00000.0000-0.3294

Loss per epoch

training validation

Config

name: reference_bgl3_gcn_mr5_contiguousf0
task: dms
data:
  dataset: bgl3
  encoding: one_hot,aa_index
  split_dir: null
  graph_threshold: 6
  split_scheme: contiguous
  split_fold: 0
  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