PySCF: Python-based Simulations of Chemistry Framework

PySCF is an open-source, Python-based framework for *ab initio* quantum chemistry simulations. It offers a comprehensive suite of electronic structure methods, including Hartree-Fock, Density Functional Theory (DFT), MP2, Coupled Cluster, and various multi-reference methods, for both molecular and periodic systems. The library is actively developed, with version 2.12.1 being the current stable release, and minor versions released roughly every 3-4 months, indicating a robust and ongoing development cycle.