pyscf
PySCF: Python-based Simulations of Chemistry Framework
PySCF: Python-based Simulations of Chemistry Framework
To install this package, run one of the following:
Summary
PySCF: Python-based Simulations of Chemistry Framework
Last Updated
May 17, 2026 at 15:16
License
Apache-2.0
Supported Platforms
Home
https://pyscf.org/GitHub Repository
https://github.com/pyscf/pyscf