{
  "model_type": "AttentiveFP",
  "task_type": "regression",
  "endpoint": "pKa_acidic",
  "hyperparameters": {
    "name": "larger_model",
    "hidden_channels": 128,
    "num_layers": 3,
    "num_timesteps": 3,
    "dropout": 0.1,
    "learning_rate": 0.0005,
    "weight_decay": 0.0001,
    "batch_size": 32,
    "epochs": 50,
    "patience": 10
  },
  "input_features": {
    "atom_features": 10,
    "bond_features": 6
  },
  "framework": "pytorch_geometric"
}