| 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 | |