| # config.yaml | |
| seed: 2102 | |
| device: cuda | |
| train_batch_size: 256 | |
| learning_rate: 0.001 | |
| num_epochs: 60 | |
| scheduler_patience: 5 | |
| scheduler_factor: 0.2 | |
| train_split: 0.9 | |
| dataset_path: 'data/prottrans_molformer_tensor_dataset100k.json' | |
| model_train_save_path: 'data/BAPULM_weights.pth' | |
| model_inference_path: 'data/BAPULM_results_molformer_reproduce_json.pth' | |
| inference_batch_size: 64 | |
| benchmark_files: | |
| - 'data/benchmark1k2101.csv' | |
| - 'data/Test2016_290.csv' | |
| - 'data/CSAR-HiQ_36.csv' | |