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An isotopic pattern calculator written in Python 3. Given a chemical formula, it calculates the full isotopic distribution and simulates a mass spectrum. Dependencies: Python 3.6+, numpy, matplotlib, tkinter.
The old python 2.x code has been updated and given a GUI. It's also a lot faster now.
chemfem is a high order finiteelement method that can solve general partial differential equations and the reacting Navier Stokes equations in particular.