Nwchem

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NWChem: Open Source High-Performance Computational Chemistry

<img alt="NWChem logo" src="https://raw.githubusercontent.com/nwchemgit/nwchem/master/contrib/git.nwchem/MS3_logo_cropped.png" align=middle width="102pt" height="117pt"/> NWChem is actively developed by a consortium of developers and maintained by the Environmental Molecular Sciences Laboratory (EMSL), a US DOE Office of Science User Facility located at the Pacific Northwest National Laboratory (PNNL) in Washington State

Scalable computational chemistry tools

Source download instructions for developers

• Master

git clone https://github.com/nwchemgit/nwchem.git

• 7.3.1 Release

git clone  -b hotfix/release-7-3-0 https://github.com/nwchemgit/nwchem.git nwchem-7.3.1

Release 7.3.1

Release files available at the page
https://github.com/nwchemgit/nwchem/releases/tag/v7.3.0-release
Tar files for download:
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-srconly.2025-11-06.tar.bz2
https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-nonsrconly.2025-11-06.tar.bz2
Release notes available at
https://github.com/nwchemgit/nwchem/blob/master/release.notes.7.3.1.md

Documentation

https://nwchemgit.github.io