Citing

If you use MOLPIPx in your research, please cite the following paper:

@article{molpipx2025,
  author = {Drehwald, Manuel S. and Jamali, Asma and Vargas-Hernández, Rodrigo A.},
  title = {{MOLPIPx: An end-to-end differentiable package for Permutationally Invariant Polynomials in Python and Rust}},
  journal = {The Journal of Chemical Physics},
  volume = {162},
  number = {8},
  pages = {084115},
  year = {2025},
  doi = {10.1063/5.0250837},
  url = {https://doi.org/10.1063/5.0250837}
}