mokit
MOKIT: Molecular Orbital KIT
Installation
To install this package, run one of the following:
Usage Tracking
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Description
MOKIT offers various utilities and modules to transfer MOs among various quantum chemistry software packages. Besides, the automr program in MOKIT can set up and run common multi-reference calculations in a black-box way.
About
Summary
MOKIT: Molecular Orbital KIT
Last Updated
Feb 6, 2026 at 16:52
License
Apache-2.0
Total Downloads
2.6K
Version Downloads
2
Supported Platforms
linux-64
Unsupported Platforms
macOS-arm64 Last supported version: 1.2.7rc18
win-64 Last supported version: 1.2.7rc18
GitHub Repository
https://gitlab.com/jxzou/mokitDocumentation
https://doc.mokit.xyz/