Ex Mente Technologies and GTT-Technologies are excited to announce the first commercial release of ChemAppPy!
ChemAppPy is a Python package that makes ChemApp, the thermochemistry library developed by GTT-Technologies, available in Python 3.6+. It includes additional tools that make thermochemical calculations easier and quicker to do.
GTT are the original developers of ChemApp, a powerful thermochemistry tool that can be integrated into applications through a variety of programming languages such as C and Fortran. Ex Mente has been using ChemApp for many years with great success. We used ChemApp with the C programming language, which had its challenges. We are engineers, not computer scientists, and each time we had to return to the C world, it felt like starting all over. It was difficult for us to use, and took a long time. As engineers we didn’t want to repeatedly lose so much time. There had to be a more effective way.
In 2013 we discovered the Python programming language, and simply fell in love with it. It is so much friendlier, easier, and faster to use than C. We did lots of things in Python, and it worked really well. Eventually we decided to bring our good friend ChemApp into the Python world. That is how ChemAppPy was born.
You can use the ChemAppPy basic module to do all the same things that ChemApp can do through the familiar programming interface, with functions like tqini, tqsetc, and tqce. With the friendly module you can do all these same things, but the functions have friendlier names, like ThermochemicalSystem.load (to open a data file), and EquilibriumCalculation.calculate_eq to perform an equilibrium calculation. We like this, because it is easier to learn and remember. The basic and friendly modules do not really add much to what ChemApp provides, but just makes these calculations available in Python and easier to remember.
The ChemAppPy tools module is different. Here we added some new stuff … again because we didn’t want to repeatedly spend time to do the same things. We like doing lots of work, but quickly and easily. The tools help you with setting up large sets of calculations, running them, and making beautiful plots that help us understand things better, which is great. Now we can automate an entire thermochemical study, and rerun it with different parameters whenever we need to.
We have released the first commercial version of ChemAppPy, version 1.0. Now you can have as much fun as we do with thermochemistry and Python. The software is developed and supported by Ex Mente Technologies, and distributed worldwide by Ex Mente, GTT and their partners and agents.
If you are interested to learn more about ChemAppPy, you are welcome to contact us at firstname.lastname@example.org or (+27) 12 348 2438.
Looking forward to hear from you!