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@@ -11,31 +11,30 @@ datasets:
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  metrics:
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  - accuracy
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  ---
 
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- # Model Card for ReactionT5-product-prediction
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- This is a ReactionT5 pre-trained to predict the products of reactions. You can use the demo [here](https://huggingface.co/spaces/sagawa/predictproduct-t5).
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- ## Model Details
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- <!-- Provide a longer summary of what this model is. -->
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  ### Model Sources
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  <!-- Provide the basic links for the model. -->
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  - **Repository:** https://github.com/sagawatatsuya/ReactionT5
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- - **Paper:** {{ paper | default("[More Information Needed]", true)}}
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- - **Demo:** https://huggingface.co/spaces/sagawa/predictproduct-t5
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  ## Uses
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  <!-- Address questions around how the model is intended to be used, including the foreseeable users of the model and those affected by the model. -->
 
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  ## How to Get Started with the Model
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- Download files and use the code below to get started with the model.
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  ```python
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  from transformers import AutoTokenizer, T5ForConditionalGeneration
@@ -54,7 +53,7 @@ output # 'O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3]'
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  <!-- This relates heavily to the Technical Specifications. Content here should link to that section when it is relevant to the training procedure. -->
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  We used Open Reaction Database (ORD) dataset for model training.
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- Following is the command used for training. For more information, please refer to the paper and GitHub repository.
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  ```python
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  python train.py \
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  Performance comparison of Compound T5, ReactionT5, and other models in product prediction. The values enclosed in ‘<>’ in the table represent the scores of the model that was fine-tuned on 200 reactions from the USPTO dataset. The score enclosed in ‘()’ is the one reported in the original paper.
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- ## Citation [optional]
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  <!-- If there is a paper or blog post introducing the model, the APA and Bibtex information for that should go in this section. -->
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-
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- ## Model Card Authors [optional]
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-
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- {{ model_card_authors | default("[More Information Needed]", true)}}
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-
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- ## Model Card Contact
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-
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- {{ model_card_contact | default("[More Information Needed]", true)}}
 
 
 
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  metrics:
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  - accuracy
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  ---
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+ # ⚠️This is an old version of [ReactionT5-forward-v2](https://huggingface.co/sagawa/ReactionT5-forward-v2). Prediction accuracy is worse.⚠️
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+ # Model Card for ReactionT5-forward-v1
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+ This is a ReactionT5 pre-trained to predict the products of reactions.
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  ### Model Sources
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  <!-- Provide the basic links for the model. -->
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  - **Repository:** https://github.com/sagawatatsuya/ReactionT5
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+ - **Paper:** https://arxiv.org/abs/2311.06708
 
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  ## Uses
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  <!-- Address questions around how the model is intended to be used, including the foreseeable users of the model and those affected by the model. -->
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+ You can use this model for forward reaction prediction or fine-tune this model with your dataset.
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  ## How to Get Started with the Model
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+ Use the code below to get started with the model.
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  ```python
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  from transformers import AutoTokenizer, T5ForConditionalGeneration
 
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  <!-- This relates heavily to the Technical Specifications. Content here should link to that section when it is relevant to the training procedure. -->
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  We used Open Reaction Database (ORD) dataset for model training.
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+ The command used for training is the following. For more information, please refer to the paper and GitHub repository.
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  ```python
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  python train.py \
 
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  Performance comparison of Compound T5, ReactionT5, and other models in product prediction. The values enclosed in ‘<>’ in the table represent the scores of the model that was fine-tuned on 200 reactions from the USPTO dataset. The score enclosed in ‘()’ is the one reported in the original paper.
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+ ## Citation
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  <!-- If there is a paper or blog post introducing the model, the APA and Bibtex information for that should go in this section. -->
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+ arxiv link: https://arxiv.org/abs/2311.06708
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+ ```
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+ @misc{sagawa2023reactiont5,
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+ title={ReactionT5: a large-scale pre-trained model towards application of limited reaction data},
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+ author={Tatsuya Sagawa and Ryosuke Kojima},
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+ year={2023},
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+ eprint={2311.06708},
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+ archivePrefix={arXiv},
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+ primaryClass={physics.chem-ph}
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+ }
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+ ```