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README.md
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This repository provides PyTorch source code associated with our publication, "A Large Encoder-Decoder Family of Foundation Models for Chemical Language".
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Paper: [Arxiv Link](paper/smi_ted_preprint.pdf)
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For model weights contact: eduardo.soares@ibm.com or evital@br.ibm.com .
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## Finetuning
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The finetuning datasets and environment can be found in the [finetune](finetune
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```
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bash finetune/smi_ted_light/esol/run_finetune_esol.sh
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## Feature Extraction
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The example notebook [smi_ted_encoder_decoder_example.ipynb](notebooks/smi_ted_encoder_decoder_example.ipynb) contains code to load checkpoint files and use the pre-trained model for encoder and decoder tasks. It also includes examples of classification and regression tasks. For model weights contact: eduardo.soares@ibm.com or evital@br.ibm.com.
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To load smi-ted, you can simply use:
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This repository provides PyTorch source code associated with our publication, "A Large Encoder-Decoder Family of Foundation Models for Chemical Language".
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Paper: [Arxiv Link](https://github.com/IBM/materials/blob/main/smi-ted/paper/smi_ted_preprint.pdf)
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For model weights contact: eduardo.soares@ibm.com or evital@br.ibm.com .
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## Finetuning
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The finetuning datasets and environment can be found in the [finetune](https://github.com/IBM/materials/tree/main/smi-ted/finetune) directory. After setting up the environment, you can run a finetuning task with:
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```
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bash finetune/smi_ted_light/esol/run_finetune_esol.sh
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## Feature Extraction
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The example notebook [smi_ted_encoder_decoder_example.ipynb](https://github.com/IBM/materials/blob/main/smi-ted/notebooks/smi_ted_encoder_decoder_example.ipynb) contains code to load checkpoint files and use the pre-trained model for encoder and decoder tasks. It also includes examples of classification and regression tasks. For model weights contact: eduardo.soares@ibm.com or evital@br.ibm.com.
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To load smi-ted, you can simply use:
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