config.json

{
    "n_batch": 32,
    "n_layer": 12,
    "n_head": 12,
    "n_embd": 768,
    "max_len": 202,
    "d_dropout": 0.1,
    "dropout": 0.1,
    "lr_start": 3e-5,
    "lr_multiplier": 1,
    "model_type" : "SMI-TED",
    "max_epochs": 500,
    "num_feats": 32,
    "smi_ted_version": "v1",
    "model_path": "../",
    "ckpt_filename": "smi-ted-Light_40.pt",
    "data_root": "../../moleculenet/esol",
    "dataset_name": "esol",
    "measure_name": "measured log solubility in mols per litre",
    "checkpoints_folder": "./checkpoints_esol",
    "loss_fn": "rmse",
    "target_metric": "rmse",
    "save_ckpt": 1,
    "start_seed": 0,
    "train_decoder": 1
}