pyscf
PySCF: Python-based Simulations of Chemistry Framework
Installation
To install this package, run one of the following:
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About
Summary
PySCF: Python-based Simulations of Chemistry Framework
Last Updated
Apr 21, 2026 at 18:04
License
Apache-2.0
Supported Platforms
macOS-64
linux-64
Unsupported Platforms
macOS-arm64 Last supported version: 2.11.0
linux-aarch64 Last supported version: 2.11.0
linux-ppc64le Last supported version: 2.11.0
Home
https://pyscf.org/GitHub Repository
https://github.com/pyscf/pyscf