@article{optimalmessagepassingformolecularpredict,
  title = {Optimal message passing for molecular prediction is simple, attentive and spatial},
  author = {Alma C. Castaneda-Leautaud and Rommie E. Amaro},
  year = {2025},
  eprint = {2509.10871},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2509.10871},
}