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- ---
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- license: apache-2.0
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- tags:
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- - chemistry
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- - biology
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- ---
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- # ByteFF2
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-
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- This repository contains the model used for the paper [Bridging Quantum Mechanics to Organic Liquid Properties via a Universal Force Field](https://arxiv.org/abs/2508.08575)。
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-
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- [ByteFF-Pol](https://arxiv.org/abs/2508.08575) is a polarizable force field parameterized by a graph neural network (GNN), trained on high-level quantum mechanics (QM) data, thus eliminating the need for experimental calibration. ByteFF-Pol achieves exceptional accuracy in predicting the thermodynamic and transport properties of small-molecule liquids and electrolytes, outperforming SOTA traditional and ML force fields
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-
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- # Trained Models
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- The `trained_models`` folder contains the trained model for ByteFF-Pol and its corresponding configuration (.yaml) file.
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-
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- # How to use
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- Code and examples are available in the [byteff2](https://github.com/ByteDance-Seed/byteff2) repository.
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-
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- ## Citation
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- If you find ByteFF-Pol is useful for your research and applications, feel free to give us a star ⭐ or cite us using:
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-
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- ```bibtex
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-
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- @misc{zheng2025bridgingquantummechanicsorganic,
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- title = {Bridging Quantum Mechanics to Organic Liquid Properties via a Universal Force Field},
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- author = {Tianze Zheng and Xingyuan Xu and Zhi Wang and Xu Han and Zhenliang Mu and Ziqing Zhang and Sheng Gong and Kuang Yu and Wen Yan},
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- year = {2025},
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- eprint = {2508.08575},
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- archivePrefix = {arXiv},
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- primaryClass = {physics.comp-ph},
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- url = {https://arxiv.org/abs/2508.08575}
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- }
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  ```
 
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+ ---
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+ license: apache-2.0
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+ tags:
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+ - chemistry
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+ - biology
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+ ---
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+ # ByteFF2
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+
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+ This repository contains the model used for the paper [Bridging Quantum Mechanics to Organic Liquid Properties via a Universal Force Field](https://arxiv.org/abs/2508.08575)。
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+
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+ [ByteFF-Pol](https://arxiv.org/abs/2508.08575) is a polarizable force field parameterized by a graph neural network (GNN), trained on high-level quantum mechanics (QM) data, thus eliminating the need for experimental calibration. ByteFF-Pol achieves exceptional accuracy in predicting the thermodynamic and transport properties of small-molecule liquids and electrolytes, outperforming SOTA traditional and ML force fields
12
+
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+ # Trained Models
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+ The `trained_models` folder contains the trained model for ByteFF-Pol and its corresponding configuration (.yaml) file.
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+
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+ # How to use
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+ Code and examples are available in the [byteff2](https://github.com/ByteDance-Seed/byteff2) repository.
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+
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+ ## Citation
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+ If you find ByteFF-Pol is useful for your research and applications, feel free to give us a star ⭐ or cite us using:
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+
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+ ```bibtex
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+
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+ @misc{zheng2025bridgingquantummechanicsorganic,
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+ title = {Bridging Quantum Mechanics to Organic Liquid Properties via a Universal Force Field},
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+ author = {Tianze Zheng and Xingyuan Xu and Zhi Wang and Xu Han and Zhenliang Mu and Ziqing Zhang and Sheng Gong and Kuang Yu and Wen Yan},
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+ year = {2025},
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+ eprint = {2508.08575},
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+ archivePrefix = {arXiv},
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+ primaryClass = {physics.comp-ph},
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+ url = {https://arxiv.org/abs/2508.08575}
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+ }
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  ```