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.
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Updated
Apr 7, 2022 - Python
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.
Stochastic chemical kinetics using Gillespie algorithm and chemical master equation, application to enzyme kinetics
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
Plots for reversible first order reactions
Physical Chemistry Fun for Python!
Computational implementation of Brusselator, a theoretical model for a type of autocatalytic reaction.
Personal blog.
physical chemistry 3 class supplementary information
Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates
my thesis code for NNP
Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface
Visual Simulation of Molecular Dynamics using the Cairo library
A repository for my applied math investigations into various interdisciplinary topics
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
A simple script to plot volume X temperature X pressure for ideal gases
Welcome to the Lab! Let's Advance the chemical sciences with molecular simulations. 🧪
Visualize TCSPC data with PGFPlots & TikZ.
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