PyES - Python Equilibrium Species

PyES is a software for the computation of solution and precipitation equilibria.

Based on the previous work of Professor Sammartano of the University of Messina, PyES aims to empower researchers with the ability to easily compute species distribution in water solution and simulate titration curves even for complex systems containing preciptiable species.

It can be dawnloaded free of charge to your PC (see instruction below).

PyES was born from the collaboration of analytical and inorganic chemists of the Universities of Turin (IT), Messina (IT), Valencia (ES) and Lisbon (PT).

If you use it, please cite it as: Castellino, L, Alladio, E, Bertinetti, S, Lando, G, De Stefano, C, Blasco, S, Garcia-Espana, E, Gama, S, Berto, S, Milea, D (2023). PyES-An open-source software for the computation of solution and precipitation equilibria. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, vol. 239, p. 104860, ISSN: 0169-7439, doi: 10.1016/j.chemolab.2023.104860

Requirements

Architecture
- x86_64
- Apple Silicon
Operating System
- Windows 10+
- macOS 10.14+
- Linux/X11 (Ubuntu 20.04+)

Installation

Download the appropriate installer for your distribution from the Release Page
Follow your OS specific instructions:
- Windows:
  (a) Double click on the downloaded .exe installer; (b) If prompted with the request of giving permissions to modify your system click “Yes”; (c) Follow the installation instructions.
- mcOS:
  (a) Double click on the downloaded .dmg file; (b) If the OS blocks the file from opening follow the official instructions to open unsigned applications; (c) Move the PyES icon to the Aplications folder.
- Ubuntu:
  (a) Open a terminal; (b) Execute sudo apt install path_to_deb_file where path_to_deb_file points to the downloaded .deb file on you system.

Usage

A User Manual containing examples and a detailed description of the interface is available in PDF format.

Repository GitHub

https://github.com/PyES-software/PyES

Contacts

pyes@unito.it