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README.md
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@@ -20,6 +20,8 @@ Welcome to IBM's series of large foundation models for sustainable materials. Ou
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GitHub: [GitHub Link](https://github.com/IBM/materials/tree/main)
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# SMILES-based Transformer Encoder-Decoder (SMI-TED)
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![ted-smi](smi-ted.png)
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```python
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with torch.no_grad():
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decoded_smiles = model.decode(encoded_embeddings)
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```
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GitHub: [GitHub Link](https://github.com/IBM/materials/tree/main)
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Paper: [arXiv:2407.20267](https://arxiv.org/abs/2407.20267)
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# SMILES-based Transformer Encoder-Decoder (SMI-TED)
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![ted-smi](smi-ted.png)
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```python
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with torch.no_grad():
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decoded_smiles = model.decode(encoded_embeddings)
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```
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## Citations
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```
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@misc{soares2024largeencoderdecoderfamilyfoundation,
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title={A Large Encoder-Decoder Family of Foundation Models For Chemical Language},
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author={Eduardo Soares and Victor Shirasuna and Emilio Vital Brazil and Renato Cerqueira and Dmitry Zubarev and Kristin Schmidt},
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year={2024},
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eprint={2407.20267},
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archivePrefix={arXiv},
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primaryClass={cs.LG},
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url={https://arxiv.org/abs/2407.20267},
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}
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```
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