6 Repositories
Python thermodynamics Libraries
Python version of the amazing Reaction Mechanism Generator (RMG).
Reaction Mechanism Generator (RMG) Description This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatic
284 Dec 27, 2022
Hydrogen (or other pure gas phase species) depressurization calculations
HydDown Hydrogen (or other pure gas phase species) depressurization calculations This code is published under an MIT license. Install as simple as: pi
13 Nov 26, 2022
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
189 Dec 13, 2022
Reference implementation for Deep Unsupervised Learning using Nonequilibrium Thermodynamics
Diffusion Probabilistic Models This repository provides a reference implementation of the method described in the paper: Deep Unsupervised Learning us
238 Jan 2, 2023
A Scheil-Gulliver simulation tool using pycalphad.
scheil A Scheil-Gulliver simulation tool using pycalphad. import matplotlib.pyplot as plt from pycalphad import Database, variables as v from scheil i
6 Dec 10, 2021
Fitting thermodynamic models with pycalphad
ESPEI ESPEI, or Extensible Self-optimizing Phase Equilibria Infrastructure, is a tool for thermodynamic database development within the CALPHAD method
42 Sep 12, 2022