Citing ========= If you use MOLPIPx in your research, please cite the following paper: .. code-block:: bibtex @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} }