train 2418, val 278, test 953 (+extra from /home/sjkim/POLYEDIT/data/real/raw) 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 s6oubhqd wandb: Tracking run with wandb version 0.23.1 wandb: Run data is saved locally in /home/sjkim/POLYEDIT/wandb/run-20260803_143623-s6oubhqd wandb: Run `wandb offline` to turn off syncing. wandb: Syncing run polyedit-verifier-transpolymer-full80 wandb: ⭐️ View project at https://wandb.ai/promotion-kim/polyedit wandb: 🚀 View run at https://wandb.ai/promotion-kim/polyedit/runs/s6oubhqd epoch 1 train 0.8608 val 0.5379 epoch 2 train 0.4393 val 0.2617 epoch 3 train 0.2513 val 0.1970 epoch 4 train 0.1835 val 0.1749 epoch 5 train 0.1486 val 0.1584 epoch 6 train 0.1276 val 0.1589 epoch 7 train 0.1059 val 0.1513 epoch 8 train 0.0944 val 0.1606 epoch 9 train 0.0811 val 0.1690 epoch 10 train 0.0734 val 0.1555 epoch 11 train 0.0675 val 0.1700 epoch 12 train 0.0622 val 0.1690 early stop at epoch 12 (best val 0.1513) wandb: updating run metadata wandb: uploading output.log; uploading wandb-summary.json wandb: uploading history steps 10-12, summary, console lines 10-12 wandb: wandb: Run history: wandb: epoch ▁▂▂▃▄▄▅▅▆▇▇█ wandb: test/EPS_pairwise_acc ▁ wandb: test/EPS_rmse ▁ wandb: test/EPS_rmse_over_interval ▁ wandb: test/EPS_spearman ▁ wandb: test/Eat_pairwise_acc ▁ wandb: test/Eat_rmse ▁ wandb: test/Eat_rmse_over_interval ▁ wandb: test/Eat_spearman ▁ wandb: test/Eea_pairwise_acc ▁ wandb: +25 ... wandb: wandb: Run summary: wandb: epoch 12 wandb: test/EPS_pairwise_acc 0.85117 wandb: test/EPS_rmse 0.5682 wandb: test/EPS_rmse_over_interval 5.68197 wandb: test/EPS_spearman 0.87051 wandb: test/Eat_pairwise_acc 0.91144 wandb: test/Eat_rmse 0.11029 wandb: test/Eat_rmse_over_interval 1.10288 wandb: test/Eat_spearman 0.95939 wandb: test/Eea_pairwise_acc 0.89208 wandb: +25 ... wandb: wandb: 🚀 View run polyedit-verifier-transpolymer-full80 at: https://wandb.ai/promotion-kim/polyedit/runs/s6oubhqd 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-20260803_143623-s6oubhqd/logs prop RMSE MAE RMSE/interval spearman pairwise Egc 0.485 0.359 4.9 0.944 0.896 Egb 0.712 0.481 7.1 0.950 0.906 Eea 0.389 0.295 3.9 0.940 0.892 Ei 0.469 0.325 4.7 0.886 0.872 EPS 0.568 0.394 5.7 0.871 0.851 Nc 0.086 0.062 1.7 0.955 0.904 Xc 24.780 20.050 12.4 0.227 0.572 Eat 0.110 0.080 1.1 0.959 0.911