diff --git a/docs/source/tutorials/tutorial15/tutorial.html b/docs/source/tutorials/tutorial15/tutorial.html index 9de416c..3fadabe 100644 --- a/docs/source/tutorials/tutorial15/tutorial.html +++ b/docs/source/tutorials/tutorial15/tutorial.html @@ -7747,7 +7747,7 @@ a.anchor-link { # save the dataset input_ = [data for data in dataset] -target_ = torch.stack([data.y for data in dataset]) +target_ = torch.cat([data.y for data in dataset]) # normalize the target mean = target_.mean(dim=0, keepdim=True) @@ -7908,7 +7908,7 @@ Using a pre-processed version of the dataset. Please install 'rdkit' to alternat
You are using the plain ModelCheckpoint callback. Consider using LitModelCheckpoint which with seamless uploading to Model registry. +π‘ Tip: For seamless cloud uploads and versioning, try installing [litmodels](https://pypi.org/project/litmodels/) to enable LitModelCheckpoint, which syncs automatically with the Lightning model registry.
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Test metric DataLoader 0
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- test_loss_epoch 0.40489107370376587
+ test_loss_epoch 0.4035990834236145
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Property | Error | Unit ---------------------------------- -ΞΌ | 0.6880 | D -Ξ± | 0.4528 | aβΒ³ -Ξ΅ HOMO | 0.6876 | eV -Ξ΅ LUMO | 0.6286 | eV -ΞΞ΅ | 0.6713 | eV -β¨RΒ²β© | 0.6495 | aβΒ² -ZPVE | 0.2448 | eV -Uβ | 0.3794 | eV -U | 0.3858 | eV -H | 0.3779 | eV -G | 0.3921 | eV -cv | 0.5453 | cal/(molΒ·K) -Uβ ATOM | 0.2836 | eV +ΞΌ | 0.6903 | D +Ξ± | 0.4514 | aβΒ³ +Ξ΅ HOMO | 0.6874 | eV +Ξ΅ LUMO | 0.6221 | eV +ΞΞ΅ | 0.6680 | eV +β¨RΒ²β© | 0.6613 | aβΒ² +ZPVE | 0.2487 | eV +Uβ | 0.3803 | eV +U | 0.3811 | eV +H | 0.3786 | eV +G | 0.3813 | eV +cv | 0.5490 | cal/(molΒ·K) +Uβ ATOM | 0.2847 | eV U ATOM | 0.2835 | eV -H ATOM | 0.2838 | eV -G ATOM | 0.2877 | eV -A | 0.0045 | GHz -B | 0.2234 | GHz -C | 0.2233 | GHz +H ATOM | 0.2831 | eV +G ATOM | 0.2879 | eV +A | 0.0018 | GHz +B | 0.2134 | GHz +C | 0.2142 | GHz