⚗ A package useful for chemistry written in Python

A python package for Abel and inverse Abel transforms

Thrust curve modelling tool for hybrid NOs rockets

A framework for 3D molecular fields calculations

UV-vis spectra simulation program from oscillator strength results.

Physical Chemistry Fun for Python!

A collection of Python-code that I use/have been using for my work in neutron diffraction, molecular magnetism and as a TA in physical chemistry

A M.Sc project for classifying mineral spectra taken by handheld LIBS measurements using Python and the Keras framework.

A short Python-based permutator for (microwave) frequency-loop calculations

Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates

Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface

This package intends to generate a quantitative metric in how similar IR plots of carbohydrate conformers. In addition, there are graphical functionalities to display molecular data.

This is a software to help food scientists in their everyday lab work making easy to calculate physical chemical parameters in a range of food sources

fast and easy development of simulation methods and teaching purposes

Code to calculate the vapor-liquid interface in ionic fluids using modified Gaussian renormalized fluctuation theory

This Python program constructs a ternary phase diagram of the water-acetone-1-butanol system with the help of the "python-ternary" module by Marcharper. Experimentally-obtained volume fractions of each liquid component are provided as the source data. This was created as part of Experiment #5 of CHEM 171.41 LAB (Physical Chemistry 1 LAB).