splitter:
  root: DATA_SPLITS/CHEMICAL
  class_name: pydgn.data.splitter.Splitter
  args:
    n_outer_folds: 1
    n_inner_folds: 1
    seed: 42
    stratify: False
    shuffle: True
    inner_val_ratio: 0.1
    outer_val_ratio: 0.1
    test_ratio: 0.1
dataset:
  root: DATA
  class_name: pydgn.data.dataset.TUDatasetInterface
  args:
    root: DATA
    name: salicylic_acid
  pre_transform:
    - class_name: transform.NegativeSampling