Protein Engineering

pab1 · Graph CNN

reference_pab1_gcn_plm_contiguousf0_20261104-175758

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
train0.46020.93660.89340.85843428.00000.043738.00000.60000.17501.16150.10000.00000.62210.72000.16551.52040.04000.00000.68380.73000.13451.52040.04000.00000.70350.71430.11551.52040.06930.00000.7428
validation1.72460.73040.70110.5195196.00000.06621496.00000.1000-0.22710.09160.00000.00000.71390.1600-0.45330.22320.02000.00000.67510.2100-0.39820.41450.11000.00000.72330.0417-0.42040.09160.00000.00000.6642
test2.07670.73290.73610.4397222.0000-0.00361698.00000.1000-0.28210.01260.00000.00000.75270.2400-0.30580.40300.06000.00000.78140.1900-0.33400.40300.07000.00000.79680.2449-0.30430.40300.06120.00000.7813

Loss per epoch

training validation

Config

name: reference_pab1_gcn_plm_contiguousf0
task: dms
data:
  dataset: pab1
  encoding: one_hot,aa_index,plm,plm_sum
  split_dir: null
  graph_threshold: 7
  split_scheme: contiguous
  split_fold: 0
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