| { | |
| "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 | |
| } | |