checkpoint: <TODO>
set: test
sample_outdir: ./samples
n_samples: 100
sample_with_ground_truth_size: False
device: cuda
seed: 42
sample: True
postprocess: False
evaluate: False
reduce: reduce

# Override training config parameters if necessary
model_args:
  
  virtual_nodes: [0, 5]

  train_params:
    datadir: ./processed_crossdocked
    gnina: gnina

  eval_params:
    n_sampling_steps: 500
    eval_batch_size: 1