IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files. - Toon Verstraelen; William Adams; Leila Pujal; Alireza Tehrani; Braden D. Kelly; Luis Macaya; Fanwang Meng; Michael Richer; Raymundo Hernández-Esparza; Xiaotian Derrick Yang; Matthew Chan; Taewon David Kim; et al. (J. Comput. Chem., 2021)

Procrustes: A python library to find transformations that maximize the similarity between matrices. - Fanwang Meng; Michael Richer; Alireza Tehrani; Jonathan La; Taewon David Kim; Paul W. Ayers; Farnaz Heidar-Zadeh (Comput. Phys. Commun., 2022)

An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions. - Alireza Tehrani; James S. M. Anderson; Debajit Chakraborty; Juan I. Rodriguez-Hernandez; David C. Thompson 002; Toon Verstraelen; Paul W. Ayers; Farnaz Heidar-Zadeh (J. Comput. Chem., 2023)