| python ../../finetune_regression.py \ | |
| --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 \ | |
| --max_epochs 500 \ | |
| --num_feats 32 \ | |
| --smi_ted_version 'v1' \ | |
| --model_path '../' \ | |
| --ckpt_filename 'smi-ted-Light_40.pt' \ | |
| --data_root '../../moleculenet/qm8' \ | |
| --dataset_name qm8 \ | |
| --measure_name 'E1-PBE0' \ | |
| --checkpoints_folder './checkpoints_QM8-E1-PBE0' \ | |
| --loss_fn 'mae' \ | |
| --target_metric 'mae' \ | |
| --save_ckpt 1 \ | |
| --start_seed 0 \ | |
| --train_decoder 1 \ |