| train pairs 131311, val 13621 |
| The tokenizer class you load from this checkpoint is not the same type as the class this function is called from. It may result in unexpected tokenization. |
| The tokenizer class you load from this checkpoint is 'RobertaTokenizer'. |
| The class this function is called from is 'PolymerSmilesTokenizer'. |
| Some weights of RobertaModel were not initialized from the model checkpoint at ChangwenXu/TransPolymer and are newly initialized: ['roberta.pooler.dense.bias', 'roberta.pooler.dense.weight'] |
| You should probably TRAIN this model on a down-stream task to be able to use it for predictions and inference. |
| wandb: Currently logged in as: promotionkim (mhchoiiii-Korea Advanced Institute of Science and Technology) to https://api.wandb.ai. Use `wandb login --relogin` to force relogin |
| wandb: setting up run 17n90c1a |
| wandb: Tracking run with wandb version 0.23.1 |
| wandb: Run data is saved locally in /home/sjkim/POLYEDIT/wandb/run-20260804_110017-17n90c1a |
| wandb: Run `wandb offline` to turn off syncing. |
| wandb: Syncing run polyedit-delta-transpolymer |
| wandb: ⭐️ View project at https://wandb.ai/promotion-kim/polyedit |
| wandb: 🚀 View run at https://wandb.ai/promotion-kim/polyedit/runs/17n90c1a |
| epoch 1 train 0.0951 val 0.0243 |
| epoch 2 train 0.0114 val 0.0078 |
| epoch 3 train 0.0066 val 0.0067 |
| epoch 4 train 0.0041 val 0.0043 |
| epoch 5 train 0.0029 val 0.0037 |
| epoch 6 train 0.0024 val 0.0034 |
| wandb: updating run metadata |
| wandb: uploading output.log; uploading wandb-summary.json |
| wandb: uploading history steps 6-6, summary |
| wandb: |
| wandb: Run history: |
| wandb: epoch ▁▂▄▅▇█ |
| wandb: test/EPS_delta_rmse ▁ |
| wandb: test/EPS_sign_acc ▁ |
| wandb: test/Eat_delta_rmse ▁ |
| wandb: test/Eat_sign_acc ▁ |
| wandb: test/Eea_delta_rmse ▁ |
| wandb: test/Eea_sign_acc ▁ |
| wandb: test/Egb_delta_rmse ▁ |
| wandb: test/Egb_sign_acc ▁ |
| wandb: test/Egc_delta_rmse ▁ |
| wandb: +9 ... |
| wandb: |
| wandb: Run summary: |
| wandb: epoch 6 |
| wandb: test/EPS_delta_rmse 0.70977 |
| wandb: test/EPS_sign_acc 0.80957 |
| wandb: test/Eat_delta_rmse 0.11451 |
| wandb: test/Eat_sign_acc 0.8794 |
| wandb: test/Eea_delta_rmse 0.53888 |
| wandb: test/Eea_sign_acc 0.85589 |
| wandb: test/Egb_delta_rmse 0.90242 |
| wandb: test/Egb_sign_acc 0.85345 |
| wandb: test/Egc_delta_rmse 0.75207 |
| wandb: +9 ... |
| wandb: |
| wandb: 🚀 View run polyedit-delta-transpolymer at: https://wandb.ai/promotion-kim/polyedit/runs/17n90c1a |
| wandb: ⭐️ View project at: https://wandb.ai/promotion-kim/polyedit |
| wandb: Synced 5 W&B file(s), 0 media file(s), 0 artifact file(s) and 0 other file(s) |
| wandb: Find logs at: ./wandb/run-20260804_110017-17n90c1a/logs |
|
|
| prop delta RMSE sign acc |
| Egc 0.752 0.747 |
| Egb 0.902 0.853 |
| Eea 0.539 0.856 |
| Ei 0.590 0.849 |
| EPS 0.710 0.810 |
| Nc 0.118 0.892 |
| Xc 35.356 0.603 |
| Eat 0.115 0.879 |
|
|
| wrote /tmp/polyedit/delta/transpolymer.pt |
|
|
