{ "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 }