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{ "augment_smiles": false, "smiles_canonical": false, "ligand_start_stop_token": true, "receptor_start_stop_token": true, "ligand_padding_length": 512, "receptor_padding_length": 2048, "loss_fn": "mse", "dense_hidden_sizes": [ 512 ], "activation_fn": "relu", "dropout": 0.3, "batch_norm": true, "batch_size": 64, "lr": 0.0001, "epochs": 200, "save_model": 25 }