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README.md

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<h1 align="center">Doob’s Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling</h1>
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<p align="center">
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<a href="https://github.com/plainerman/variational-doob"><img src="https://img.shields.io/badge/python-3670A0?style=for-the-badge&logo=python&logoColor=ffdd54" alt="Built with Python"/></a>
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<a href="https://github.com/plainerman/variational-doob/blob/main/notebooks/tps_gaussian.ipynb"><img src="https://img.shields.io/badge/jupyter-%23FA0F00.svg?style=for-the-badge&logo=jupyter&logoColor=white" alt="Jupyter"/></a>
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<a href="https://arxiv.org/abs/2410.07974"><img src="https://img.shields.io/badge/arXiv-b31b1b?style=for-the-badge&logo=arxiv" alt="arXiv"/></a>
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<a href="https://github.com/plainerman/variational-doob"><img src="https://img.shields.io/badge/python-3670A0?style=for-the-badge&logo=python&logoColor=ffdd54" alt="Python"/></a>
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<a href="https://github.com/plainerman/variational-doob/blob/main/notebooks/tps_gaussian.ipynb"><img src="https://img.shields.io/badge/jupyter-e37e3d.svg?style=for-the-badge&logo=jupyter&logoColor=white" alt="Jupyter"/></a>
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</p>
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<p align="center">
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```
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for real molecular systems.
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## Citation
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If you find our work useful, please consider citing our paper:
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```bibtex
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@inproceedings{du2024doob,
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author = {Du, Yuanqi and Plainer, Michael and Brekelmans, Rob and Duan, Chenru and No{\'e}, Frank and Gomes, Carla P. and Aspuru-Guzik, Al{\'a}n and Neklyudov, Kirill},
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title = {Doob’s Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling},
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year = {2024},
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booktitle = {Advances in Neural Information Processing Systems},
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}
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```

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