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README.md
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@@ -6,13 +6,15 @@ This is the model of __PolyNC__ from the paper entitled as _"PolyNC: a natural a
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You can perform some the demos with huggingface API in the box on the right side, such as try this: _Predict the Tg of the following SMILES: c1cc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(c(=O)n()c6=O)cc5c4=O)cc3)cc2)ccc1_ or _Predict the heat resistance class of the following SMILES: c1cc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(c(=O)n()c6=O)cc5c4=O)cc3)cc2)ccc1_. Just enjoy it!
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# Cite this:
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author ="Qiu, Haoke and Liu, Lunyang and Qiu, Xuepeng and Dai, Xuemin and Ji, Xiangling and Sun, Zhao-Yan",
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title ="PolyNC: a natural and chemical language model for unified polymer properties
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journal ="Chem. Sci.",
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year ="
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publisher ="The Royal Society of Chemistry",
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doi ="10.1039/D3SC05079C",
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url ="http://dx.doi.org/10.1039/D3SC05079C"
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}
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You can perform some the demos with huggingface API in the box on the right side, such as try this: _Predict the Tg of the following SMILES: c1cc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(c(=O)n()c6=O)cc5c4=O)cc3)cc2)ccc1_ or _Predict the heat resistance class of the following SMILES: c1cc(Oc2ccc(Oc3ccc(-n4c(=O)c5cc6c(c(=O)n()c6=O)cc5c4=O)cc3)cc2)ccc1_. Just enjoy it!
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# Cite this:
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```
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@Article{D3SC05079C,
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author ="Qiu, Haoke and Liu, Lunyang and Qiu, Xuepeng and Dai, Xuemin and Ji, Xiangling and Sun, Zhao-Yan",
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title ="PolyNC: a natural and chemical language model for the prediction of unified polymer properties",
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journal ="Chem. Sci.",
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year ="2024",
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volume ="15",
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issue ="2",
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pages ="534-544",
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publisher ="The Royal Society of Chemistry",
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doi ="10.1039/D3SC05079C",
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url ="http://dx.doi.org/10.1039/D3SC05079C"}
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