qm9_test.yaml

model:
  DIM: 11
  N1: 128
  N2: 64
  N3: 16
  num_blocks: 4
  s2s_num_layers: 5
  s2s_num_iters: 4
  device: 'cuda'
optimizer:
  lr: 0.0001
  max_epochs: 100
data:
  dataset: 'qm9'
  batch_size: 128
  source:
    label_keys: ['mu']
    raw_dir: './'
    force_reload: False
    verbose: False
  split:
    val_size: 1000
    test_size: 1000