model:
  type: flag
  encoder:
    type: gvptransformer
    node_feat_dim: 256
    vec_feat_dim: 64
    num_layers: 6

  embedder:
    emb_dim: 256 #emb_dim should equal to node_feat_dim
    atom:
      type: linear
    residue:
      type: linear
    vec:
      type: linear
      vec_emb_dim: 64


data:
  train: !include ../common/arfg_data_train.yml
  collate_fn:
    type: flag
  follow_batch:
    - protein_element

train:
  loss_weights:
    type: 1.0
    comb: 1.0
    focal: 1.0
    dm: 1.0
    torsion: 1.0
    sr: 1.0

  max_iters: 5000000
  report_freq: 100
  batch_size: 8
  seed: 2022
  max_grad_norm: 100.0
  optimizer:
    type: adam
    lr: 1.e-4
    weight_decay: 0.0
    beta1: 0.99
    beta2: 0.999
  scheduler:
    type: plateau
    factor: 0.6
    patience: 100
    min_lr: 1.e-5 

eval:
  val_freq: 1000
