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Sample command for tuning chemprop
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| chemprop_hyperopt \ | |
| --data_path data/clintox_train.csv \ | |
| --dataset_type classification \ | |
| --num_iters 50 \ | |
| --features_generator rdkit_2d_normalized --no_features_scaling \ | |
| --config_save_path data/config.json |
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