[992277]: / examples / affinity / regression.json

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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
}