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ReactionT5v2-yield

PyTorch
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t5
chemistry
SMILES
yield
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+ Epoch 6 - avg_train_loss: 0.0536 val_rmse_loss: 0.0537 val_r2_score: 0.2314 time: 7923s
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+ Epoch 7 - avg_train_loss: 0.0534 val_rmse_loss: 0.0539 val_r2_score: 0.2283 time: 7924s
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+ Epoch 10 - avg_train_loss: 0.0528 val_rmse_loss: 0.0530 val_r2_score: 0.2414 time: 7922s
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+ Epoch 11 - avg_train_loss: 0.0527 val_rmse_loss: 0.0532 val_r2_score: 0.2382 time: 7921s
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+ Epoch 12 - avg_train_loss: 0.0526 val_rmse_loss: 0.0530 val_r2_score: 0.2413 time: 7923s
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+ Epoch 15 - avg_train_loss: 0.0522 val_rmse_loss: 0.0536 val_r2_score: 0.2325 time: 7922s
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+ Epoch 16 - avg_train_loss: 0.0521 val_rmse_loss: 0.0542 val_r2_score: 0.2234 time: 7924s
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+ Epoch 17 - avg_train_loss: 0.0519 val_rmse_loss: 0.0533 val_r2_score: 0.2364 time: 7924s
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+ Epoch 18 - avg_train_loss: 0.0518 val_rmse_loss: 0.0532 val_r2_score: 0.2380 time: 7923s
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+ Epoch 19 - avg_train_loss: 0.0516 val_rmse_loss: 0.0541 val_r2_score: 0.2254 time: 7920s
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+ Epoch 21 - Save Lowest Loss: 0.0525 Model
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+ Epoch 22 - avg_train_loss: 0.0511 val_rmse_loss: 0.0521 val_r2_score: 0.2535 time: 7913s
32
+ Epoch 22 - Save Lowest Loss: 0.0521 Model
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+ Epoch 23 - avg_train_loss: 0.0510 val_rmse_loss: 0.0535 val_r2_score: 0.2344 time: 7922s
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+ Epoch 24 - avg_train_loss: 0.0508 val_rmse_loss: 0.0529 val_r2_score: 0.2430 time: 7922s
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+ Epoch 25 - avg_train_loss: 0.0506 val_rmse_loss: 0.0524 val_r2_score: 0.2505 time: 7920s
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+ Epoch 26 - avg_train_loss: 0.0505 val_rmse_loss: 0.0520 val_r2_score: 0.2551 time: 7921s
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+ Epoch 26 - Save Lowest Loss: 0.0520 Model
38
+ Epoch 27 - avg_train_loss: 0.0503 val_rmse_loss: 0.0527 val_r2_score: 0.2461 time: 7918s
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+ Epoch 28 - avg_train_loss: 0.0502 val_rmse_loss: 0.0516 val_r2_score: 0.2606 time: 7914s
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+ Epoch 28 - Save Lowest Loss: 0.0516 Model
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+ Epoch 29 - avg_train_loss: 0.0500 val_rmse_loss: 0.0521 val_r2_score: 0.2547 time: 7914s
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+ Epoch 30 - avg_train_loss: 0.0497 val_rmse_loss: 0.0519 val_r2_score: 0.2576 time: 7913s
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+ Epoch 31 - avg_train_loss: 0.0496 val_rmse_loss: 0.0516 val_r2_score: 0.2615 time: 7913s
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+ Epoch 31 - Save Lowest Loss: 0.0516 Model
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+ Epoch 32 - avg_train_loss: 0.0494 val_rmse_loss: 0.0521 val_r2_score: 0.2547 time: 7919s
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+ Loaded checkpoint from /home/acf15718oa/ReactionT5_neword/yield_prediction/checkpoint.pth.tar
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+ Loaded optimizer from /home/acf15718oa/ReactionT5_neword/yield_prediction/checkpoint.pth.tar
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+ Loaded scheduler from /home/acf15718oa/ReactionT5_neword/yield_prediction/checkpoint.pth.tar
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+ Epoch 33 - avg_train_loss: 0.0492 val_rmse_loss: 0.0510 val_r2_score: 0.2692 time: 7900s
50
+ Epoch 33 - Save Lowest Loss: 0.0510 Model
51
+ Epoch 34 - avg_train_loss: 0.0490 val_rmse_loss: 0.0513 val_r2_score: 0.2653 time: 7892s
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+ Epoch 35 - avg_train_loss: 0.0488 val_rmse_loss: 0.0515 val_r2_score: 0.2626 time: 7891s
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+ Epoch 36 - avg_train_loss: 0.0486 val_rmse_loss: 0.0511 val_r2_score: 0.2688 time: 7886s
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+ Epoch 37 - avg_train_loss: 0.0485 val_rmse_loss: 0.0512 val_r2_score: 0.2670 time: 7887s
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+ Epoch 38 - avg_train_loss: 0.0482 val_rmse_loss: 0.0514 val_r2_score: 0.2638 time: 7891s
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+ Epoch 39 - avg_train_loss: 0.0480 val_rmse_loss: 0.0515 val_r2_score: 0.2624 time: 7887s
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+ Epoch 40 - avg_train_loss: 0.0478 val_rmse_loss: 0.0522 val_r2_score: 0.2528 time: 7891s
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+ Epoch 41 - avg_train_loss: 0.0475 val_rmse_loss: 0.0509 val_r2_score: 0.2716 time: 7891s
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+ Epoch 41 - Save Lowest Loss: 0.0509 Model
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+ Epoch 42 - avg_train_loss: 0.0472 val_rmse_loss: 0.0508 val_r2_score: 0.2729 time: 7887s
61
+ Epoch 42 - Save Lowest Loss: 0.0508 Model
62
+ Epoch 43 - avg_train_loss: 0.0470 val_rmse_loss: 0.0521 val_r2_score: 0.2544 time: 7891s
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+ Epoch 44 - avg_train_loss: 0.0468 val_rmse_loss: 0.0506 val_r2_score: 0.2760 time: 7891s
64
+ Epoch 44 - Save Lowest Loss: 0.0506 Model
65
+ Epoch 45 - avg_train_loss: 0.0465 val_rmse_loss: 0.0516 val_r2_score: 0.2611 time: 7886s
66
+ Epoch 46 - avg_train_loss: 0.0462 val_rmse_loss: 0.0513 val_r2_score: 0.2652 time: 7891s
67
+ Epoch 47 - avg_train_loss: 0.0459 val_rmse_loss: 0.0503 val_r2_score: 0.2797 time: 7887s
68
+ Epoch 47 - Save Lowest Loss: 0.0503 Model
69
+ Epoch 48 - avg_train_loss: 0.0457 val_rmse_loss: 0.0510 val_r2_score: 0.2699 time: 7888s
70
+ Epoch 49 - avg_train_loss: 0.0453 val_rmse_loss: 0.0507 val_r2_score: 0.2737 time: 7887s
71
+ Epoch 50 - avg_train_loss: 0.0449 val_rmse_loss: 0.0506 val_r2_score: 0.2759 time: 7887s
72
+ Epoch 51 - avg_train_loss: 0.0447 val_rmse_loss: 0.0512 val_r2_score: 0.2665 time: 7887s
73
+ Epoch 52 - avg_train_loss: 0.0443 val_rmse_loss: 0.0502 val_r2_score: 0.2808 time: 7887s
74
+ Epoch 52 - Save Lowest Loss: 0.0502 Model
75
+ Epoch 53 - avg_train_loss: 0.0439 val_rmse_loss: 0.0507 val_r2_score: 0.2740 time: 7902s
76
+ Epoch 54 - avg_train_loss: 0.0435 val_rmse_loss: 0.0506 val_r2_score: 0.2749 time: 7904s
77
+ Epoch 55 - avg_train_loss: 0.0431 val_rmse_loss: 0.0504 val_r2_score: 0.2783 time: 7903s
78
+ Epoch 56 - avg_train_loss: 0.0427 val_rmse_loss: 0.0506 val_r2_score: 0.2757 time: 7904s
79
+ Epoch 57 - avg_train_loss: 0.0422 val_rmse_loss: 0.0504 val_r2_score: 0.2788 time: 7901s
80
+ Epoch 58 - avg_train_loss: 0.0418 val_rmse_loss: 0.0509 val_r2_score: 0.2716 time: 7902s
81
+ Epoch 59 - avg_train_loss: 0.0413 val_rmse_loss: 0.0516 val_r2_score: 0.2613 time: 7901s
82
+ Epoch 60 - avg_train_loss: 0.0408 val_rmse_loss: 0.0508 val_r2_score: 0.2728 time: 7897s
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+ Epoch 61 - avg_train_loss: 0.0403 val_rmse_loss: 0.0504 val_r2_score: 0.2791 time: 7888s
84
+ Epoch 62 - avg_train_loss: 0.0396 val_rmse_loss: 0.0519 val_r2_score: 0.2567 time: 7886s