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README.md
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It takes polymer SMILES strings as input and returns 512-dimensional vectors, which can be used as polymer representations for downstream tasks such as property prediction.
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## Prerequisites
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Install either `sentence-transformers` (recommended), or
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## Input Notes
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- Polymer SMILES must use `[*]` to mark repeat-unit endpoints, not bare `*`.
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- The model does not validate whether a string is a chemically valid SMILES
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string. We recommend canonicalizing polymer SMILES with the [`psmiles`](https://psmiles.readthedocs.io/) library before passing them to the model.
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## Citation
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If you use PoCo, please cite:
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It takes polymer SMILES strings as input and returns 512-dimensional vectors, which can be used as polymer representations for downstream tasks such as property prediction.
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## Resources
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- Paper: [Contrastive representation learning for polymer informatics](https://doi.org/10.26434/chemrxiv.15003645/v1)
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- Code: [GitHub repository](https://github.com/crema-lida/PoCo)
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## Prerequisites
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Install either `sentence-transformers` (recommended), or
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## Input Notes
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- Polymer SMILES **must** use `[*]` to mark repeat-unit endpoints, not bare `*`.
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- The model does **not** validate whether a string is a chemically valid SMILES
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string. We recommend canonicalizing polymer SMILES with the [`psmiles`](https://psmiles.readthedocs.io/) library before passing them to the model.
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## Citation
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If you use PoCo, please cite:
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```bibtex
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@article{wang2026poco,
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title = {Contrastive representation learning for polymer informatics},
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author = {Wang, Lida and Long, Donghui},
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journal = {ChemRxiv},
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year = {2026},
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doi = {10.26434/chemrxiv.15003645.v1}
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}
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```
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