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@@ -4,6 +4,11 @@ PoCo is a feature extractor for polymer structures.
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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
@@ -129,13 +134,20 @@ apply the mean pooling step shown in this section.
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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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- Wang, L.; Long, D. *Contrastive representation learning for polymer
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- informatics*. ChemRxiv, 2026. https://doi.org/10.26434/chemrxiv.15003645/v1
 
 
 
 
 
 
 
 
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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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+
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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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+
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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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+ ```