| { | |
| "model_type": "AttentiveFP", | |
| "task_type": "regression", | |
| "endpoint": "TMP", | |
| "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" | |
| } |