Protein Engineering

bgl3 · Graph CNN

reference_bgl3_gcn_mr5_contiguousf1_20261104-221945

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
train1.75450.60060.69420.0507151.00000.0531230.00000.2000-0.43590.39400.00000.00000.51060.1600-0.42360.39400.08000.00000.60290.1300-0.55860.39400.11000.00000.57380.1471-0.42360.39400.08820.00000.5819
validation1.9113-0.2867-0.3036-0.002726.00000.0338412.00000.0000-3.4994-2.64920.00000.0000-0.84360.0000-3.0664-0.41500.00000.0000-0.72330.0000-2.7900-0.17940.01000.0000-0.61080.0000-3.4492-2.64920.00000.0000-0.8296
test1.6782-0.2094-0.1865-0.169640.00000.2887131.00000.0000-3.0967-1.80190.00000.0000-1.08210.0200-2.42100.18400.02000.0000-0.85070.0100-2.26560.18400.03000.0000-0.80440.0000-3.0244-1.80190.00000.0000-1.0224

Loss per epoch

training validation

Config

name: reference_bgl3_gcn_mr5_contiguousf1
task: dms
data:
  dataset: bgl3
  encoding: one_hot,aa_index
  split_dir: null
  graph_threshold: 6
  split_scheme: contiguous
  split_fold: 1
  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