Protein Engineering

bgl3 · Graph CNN

reference_bgl3_gcn_mr5plm_contiguousf0_20261104-222340

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
train1.11380.71680.74860.4341156.00000.045736.00000.4000-0.09170.39400.00000.00000.66020.4200-0.02781.69080.20000.00000.80450.2900-0.11451.69080.21000.00000.81400.3429-0.10770.39400.17140.00000.7397
validation0.85260.64070.67190.405840.00000.0963229.00000.1000-0.30610.10900.00000.00000.55110.1600-0.39190.40080.18000.00000.62060.1100-0.39520.40080.28000.00000.67380.1111-0.31550.10900.00000.00000.5365
test1.57780.54930.56650.070821.00000.0448164.00000.0000-1.5460-0.35980.00000.00000.13120.0400-1.05860.27450.12000.00000.40990.0600-0.94020.49910.19000.00000.50520.0000-1.5145-0.35980.00000.00000.1479

Loss per epoch

training validation

Config

name: reference_bgl3_gcn_mr5plm_contiguousf0
task: dms
data:
  dataset: bgl3
  encoding: one_hot,aa_index,plm,plm_sum
  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