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gibbs-energy

Here are 8 public repositories matching this topic...

cgre-aachen / bayseg

An unsupervised machine learning algorithm for the segmentation of spatial data sets.

machine-learning markov-chain python3 bayesian-methods geophysics gaussian-mixture-models segmentation mixture-model gibbs-sampling hidden-markov-models gibbs-energy

Updated Jun 17, 2021
Jupyter Notebook

ftherrien / VaspGibbs

A simple way to calculate Gibbs free energy from Vasp calculations

vasp thermodynamics abinitio-simulations gibbs-energy

Updated Apr 28, 2023
Python

thermohub / thermofun

A code for calculating the standard state thermodynamic properties at a given temperature and pressure.

reaction entropy thermodynamics heat-capacity equation-of-state substance chemical-reactions thermodynamic-properties geochemistry gibbs-energy thermodynamics-models geochemical-modeling enthalpy geochemical-data

Updated Jul 23, 2024
C++

soap-tastes-ok / thermo-ml

Thermodynamics powered by Machine Learning

machine-learning entropy chemistry artificial-intelligence thermodynamics heat-capacity neural-networks quantum-chemistry materials-science materials-informatics phase-diagram thermochemistry thermodynamic-properties statistics-modeling materials-engineering gibbs-energy thermodynamic-models thermodynamic-simulation enthalpy thermodynamic-calculations

Updated May 7, 2021
Python

Freguglia / mrf2d

An R package for analysis of Markov Random Fields on 2-dimensional lattices.

cran r hidden-markov-model neighborhood markov-random-field mrf hidden-markov-models rpackage gibbs-energy mrf-models

Updated Jan 22, 2024
R

vishal-subbu / Computational-Materials-Thermodynamics

This repository contains codes developed as a part of computational materials thermodynamics (MM6010)

matlab thermodynamics calphad gibbs-energy

Updated Aug 27, 2018
MATLAB

dmpio / bioenergetic-calculators

A calculator to adjust equilibrium constants in the Creatine Kinase Bioenergetic Clamp. Also, a calculator to adjust the Gibbs Energy of ATP Hydrolysis, the Creatine Kinase Equilibrium constant, and the Adenylate Kinase equilibrium constant for temperature, ionic strength, pH, and free magnesium.

calculator thermodynamics bioenergetics gibbs-energy creatine-kinase adenylate-kinase atp-hydrolysis

Updated May 19, 2020
HTML

dmpio / ATP_Hydrolysis_shinyapp

An R Shiny App to adjust and visualize the Gibbs Energy of ATP Hydrolysis for temperature, ionic strength, pH, and free magnesium.

bioenergetics gibbs-energy atp-hydrolysis shiny-app

Updated May 19, 2020
R

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