config.json

{
  "architectures": [
    "GraphNeuralNetworkForRegression"
  ],
  "hidden_channels": 128,
  "num_layers": 5,
  "dropout": 0.2,
  "pool_type": "global_mean_pool",
  "edge_dim": 12,
  "node_features": 74,
  "problem_type": "regression",
  "target_names": [
    "binding_affinity_ki_nm"
  ],
  "model_type": "gin_conv",
  "activation": "relu",
  "use_batch_norm": true,
  "torch_dtype": "float32",
  "transformers_version": "4.36.0"
}