@article{navigatingthemaizecyclicandconditional,
  title = {Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation},
  author = {Thomas Löhr and Michele Assante and Michael Dodds and Lili Cao and Mikhail Kabeshov and Jon-Paul Janet and Marco Klähn and Ola Engkvist},
  year = {2024},
  eprint = {2402.10064},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2402.10064v2},
}