DataAnalysis provides functions for uncertainty propagation and extended data table operations. It also allows processing of chemical analyses of various sorts (import, calibration, ...) and the conversion of compositions between different sets of components. Furthermore, the PHREEQC software package can be run using this package, allowing thermodynamic and kinetic calculations in natural aquatic systems.


A package for visualizing molecules.

Last updated September 23, 2017 chemistry graphics molecule History Delete Edit Link


xCellerator is a Mathematica package designed to aide biological modeling via the automated conversion of chemical reactions into ODEs and their subsequent solution via numerical integration.

Last updated September 27, 2015 biology chemistry simulation History Delete Edit Link