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checkpoint: <TODO>
set: train
sample_outdir: ./samples
n_samples: 50
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, 10]
train_params:
datadir: ./processed_crossdocked
gnina: gnina
batch_size: 2
eval_params:
n_sampling_steps: 100
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