C-XSC: A C++ Class Library for Extended Scientific Computing - Ulrich W. Kulisch; Rudi Klatte; Andreas Wiethoff; Carola Wolff; George F. Corliss; Christian Lawo; Michael Rauch (C-XSC, 1993)

Utilizing SciPy and other open source packages to provide a powerful API for materials manipulation in the Schrödinger Materials Suite. - Alexandr Fonari; Farshad Fallah; Michael Rauch (SciPy, 2022)