args.json

{
  "seed": 1,
  "num_workers": 0,
  "batch_size": 10,
  "feature": "full",
  "add_virtual_node": false,
  "use_gpu": true,
  "device": 0,
  "epochs": 20,
  "lr": 5e-05,
  "dropout": 0.2,
  "num_layers": 20,
  "mlp_layers": 3,
  "hidden_channels": 128,
  "block": "res+",
  "conv": "gen",
  "gcn_aggr": "softmax",
  "norm": "batch",
  "num_tasks": 1,
  "t": 1.0,
  "p": 1.0,
  "learn_t": true,
  "learn_p": false,
  "msg_norm": false,
  "learn_msg_scale": false,
  "conv_encode_edge": true,
  "graph_pooling": "mean",
  "model_save_path": "model_ckpt",
  "save": "EXP",
  "model_load_init_path": "/media/SSD5/pruiz/home/Best_Models",
  "model_load_prot_init_path": "/media/SSD5/pruiz/home/Best_Models",
  "model_load_path": "Checkpoint_Last_model.pth",
  "resume": false,
  "cross_val": 0,
  "task_type": "classification",
  "binary": true,
  "balanced_loader": false,
  "target": "ada",
  "nclasses": 2,
  "num_features": 2,
  "LMPM": false,
  "PLANET": false,
  "use_prot": true,
  "freeze_molecule": true,
  "num_layers_prot": 20,
  "mlp_layers_prot": 3,
  "hidden_channels_prot": 128,
  "msg_norm_prot": false,
  "learn_msg_scale_prot": false,
  "conv_encode_edge_prot": false,
  "use_prot_metadata": false,
  "num_metadata": 240,
  "scalar": false,
  "multi_concat": false,
  "MLP": false,
  "init_adv_training": false,
  "advs": false,
  "saliency": false,
  "inference_path": "/media/SSD0/cigonzalez/drugs-discovery/"
}