A Python software package for saddle point optimization and minimization of atomic systems.
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Updated
Aug 17, 2024 - Python
A Python software package for saddle point optimization and minimization of atomic systems.
Python library for optimizing molecular structures and determining chemical reaction pathways.
This sample app shows off some basic chemical operations that are possible in VIKTOR
Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates
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