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#
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This model is a
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It achieves the following results on the evaluation set:
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- Loss: 0.1202
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- Accuracy: 0.9497
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## Model description
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We trained t5 on SMILES from ZINC using
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## Intended uses & limitations
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This model can be used
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As an example, We finetuned this model to predict products. The model is [here](https://huggingface.co/sagawa/ZINC-t5-productpredicition), and you can use the demo [here](https://huggingface.co/spaces/sagawa/predictproduct-t5).
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Using its encoder, we trained a regression model to predict a reaction yield. You can use this demo [here](https://huggingface.co/spaces/sagawa/predictyield-t5).
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# CompoundT5
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This model is a re-pretrained version of [google/t5-v1_1-base](https://huggingface.co/microsoft/deberta-base) on the sagawa/ZINC-canonicalized dataset.
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It achieves the following results on the evaluation set:
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- Loss: 0.1202
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- Accuracy: 0.9497
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## Model description
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We trained t5 on SMILES from ZINC using masked-language modeling (MLM). Its tokenizer is also trained on ZINC.
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## Intended uses & limitations
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This model can be used to predict molecules' properties, reactions, or interactions with proteins by changing the way of finetuning.
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As an example, We finetuned this model to predict products. The model is [here](https://huggingface.co/sagawa/ZINC-t5-productpredicition), and you can use the demo [here](https://huggingface.co/spaces/sagawa/predictproduct-t5).
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Using its encoder, we trained a regression model to predict a reaction yield. You can use this demo [here](https://huggingface.co/spaces/sagawa/predictyield-t5).
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