--- a +++ b/examples/affinity/regression.json @@ -0,0 +1,19 @@ +{ + "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 +} \ No newline at end of file