@inproceedings{rajaonson2025chemixhub,
  title = {CheMixHub: Datasets and benchmarks for chemical mixture property prediction},
  author = {Rajaonson, Ella Miray and Kochi, Mahyar Rajabi and Mendoza, Luis Martin Mejía and Moosavi, Seyed Mohamad and Sanchez-Lengeling, Benjamin},
  booktitle = {Thirty-ninth Conference on Neural Information Processing Systems (NeurIPS 2025) Track on Datasets and Benchmarks},
  year = {2025},
  month = dec,
  url = {https://arxiv.org/abs/2506.12231},
  preprint = {https://arxiv.org/abs/2506.12231},
  github = {https://github.com/chemcognition-lab/chemixhub},
  explainer = {https://chemcognition-lab.github.io/chemixhub/},
  keywords = {datacentric-ai, graphs, mixtures, small-molecules, ai},
  abstract = {Establishes the first unified open-source benchmark suite spanning 11 diverse chemical mixture domains with standardized splitting protocols and deep learning baseline models.},
}