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Rigid body flows for sampling molecular crystal structures

Jonas Köhler, Michele Invernizzi, Pim de Haan, Frank Noé (ICML 2023)

arXiv Twitter

double_cover

iceXI-N128-T100

BibTeX

@InProceedings{pmlr-v202-kohler23a,
  title = 	 {Rigid Body Flows for Sampling Molecular Crystal Structures},
  author =       {K\"{o}hler, Jonas and Invernizzi, Michele and De Haan, Pim and No\'{e}, Frank},
  booktitle = 	 {Proceedings of the 40th International Conference on Machine Learning},
  pages = 	 {17301--17326},
  year = 	 {2023},
  volume = 	 {202},
  series = 	 {Proceedings of Machine Learning Research},
  month = 	 {23--29 Jul},
  publisher =    {PMLR},
  pdf = 	 {https://proceedings.mlr.press/v202/kohler23a/kohler23a.pdf},
  url = 	 {https://proceedings.mlr.press/v202/kohler23a.html}
}

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