| { | |
| "model_type": "AttentiveFP", | |
| "task_type": "classification", | |
| "endpoint": "Irritation_Corrosion_Eye_Corrosion", | |
| "hyperparameters": { | |
| "name": "class_imbalance_focused", | |
| "hidden_channels": 64, | |
| "num_layers": 2, | |
| "num_timesteps": 3, | |
| "dropout": 0.3, | |
| "learning_rate": 0.0005, | |
| "weight_decay": 0.0001, | |
| "batch_size": 16, | |
| "epochs": 75, | |
| "patience": 15 | |
| }, | |
| "input_features": { | |
| "atom_features": 10, | |
| "bond_features": 6 | |
| }, | |
| "framework": "pytorch_geometric" | |
| } |