pyGAPS-gui is a Graphical User Interface (GUI) for pyGAPS. It can be used to import, process and fit adsorption isotherms in various formats.
Download the latest version for your system in the releases section.
pyGAPS-gui is currently alpha software. Things may break and change without warning. You have been warned.
- Advanced adsorption data import and manipulation.
- Routine analysis such as BET/Langmuir surface area, t-plot, alpha-s, Dubinin plots etc.
- Pore size distribution calculations for mesopores (BJH, Dollimore-Heal).
- Pore size distribution calculations for micropores (Horvath-Kawazoe).
- Pore size distribution calculations using DFT kernels
- Isotherm model fitting (Henry, Langmuir, DS/TS Langmuir, etc..)
- Isosteric enthalpy of adsorption calculation.
- IAST calculations for binary and multicomponent adsorption.
- Parsing to and from multiple formats such as Excel, CSV and JSON.
- An sqlite database backend for storing and retrieving data.
- Simple methods for isotherm graphing and comparison.
To install the development version of pyGAPS-gui, pull this GitHub repo.
git clone https://github.com/pauliacomi/pyGAPS-guiSetup a virtual environment and install pyGAPS. For example using
venv on linux: Due to some dependency hell, pyGAPS-gui requires
Python 3.8.
cd pyGAPS-gui
python -m venv ./.venv
source ./.venv/bin/activate
pip install .Or using conda on Windows:
cd pyGAPS-gui
conda create -p ./.venv python=3.8
conda activate ./.venv
pip install .Then run the app:
pygapsgui
# or
python pyGAPS-gui.py