polyreact/configs/default.yaml

seed: 42
device: "auto"
feature_backend:
  type: "plm"
  plm_model_name: "facebook/esm1v_t33_650M_UR90S_1"
  layer_pool: "mean"
  cache_dir: ".cache/embeddings"
descriptors:
  use_anarci: true
  regions:
    - "CDRH1"
    - "CDRH2"
    - "CDRH3"
  features:
    - "length"
    - "charge"
    - "hydropathy"
    - "aromaticity"
    - "pI"
    - "net_charge"
model:
  head: "logreg"
  C: 0.1
  class_weight: "balanced"
calibration:
  method: "isotonic"
training:
  cv_folds: 10
  scoring: "roc_auc"
  n_jobs: -1
io:
  outputs_dir: "artifacts"
  preds_filename: "preds.csv"
  metrics_filename: "metrics.csv"