PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.

Project Activity

See All Activity >

License

GNU General Public License version 2.0 (GPLv2)

Follow PyMOlyze

PyMOlyze Web Site

You Might Also Like
MongoDB Atlas runs apps anywhere Icon
MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
Start Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of PyMOlyze!

Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

Qt

Programming Language

C++, Python

Related Categories

Python Molecular Science Software, Python Chemistry Software, C++ Molecular Science Software, C++ Chemistry Software

Registered

2006-01-18