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khaledkah authored Aug 6, 2024
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Expand Up @@ -121,11 +121,17 @@ Under `notebooks`, we provide different tutorials in the form of Jupyter noteboo
if you use MoreRed in your research, please cite the corresponding publication:

Kahouli, K., Hessmann, S. S. P., Mueller, K.-R., Nakajima, S., Gugler, S., & Gebauer, N. W. A. (2024). Molecular relaxation by reverse diffusion with time step prediction. Machine Learning: Science and Technology. [https://doi.org/10.1088/2632-2153/ad652c](https://doi.org/10.1088/2632-2153/ad652c).

@article{kahouli2024morered,
author={Kahouli, Khaled and Hessmann, Stefaan Simon Pierre and M{\"u}ller, Klaus-Robert and Nakajima, Shinichi and Gugler, Stefan and Gebauer, Niklas Wolf Andreas},
title={Molecular relaxation by reverse diffusion with time step prediction},
journal={Machine Learning: Science and Technology},
url={https://doi.org/10.1088/2632-2153/ad652c},
year={2024}
doi = {10.1088/2632-2153/ad652c},
url = {https://dx.doi.org/10.1088/2632-2153/ad652c},
year = {2024},
month = {aug},
publisher = {IOP Publishing},
volume = {5},
number = {3},
pages = {035038},
author = {Khaled Kahouli and Stefaan Simon Pierre Hessmann and Klaus-Robert Müller and Shinichi Nakajima and Stefan Gugler and Niklas Wolf Andreas Gebauer},
title = {Molecular relaxation by reverse diffusion with time step prediction},
journal = {Machine Learning: Science and Technology},
}

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