A Python library and command line interface for automated free energy calculations
DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
EQ3/6, a Software Package for Geochemical Modeling
GEM-Standalone (GEMS3K) Solver of Chemical Equilibria for Coupled Simulation Codes
Thermodynamics powered by Machine Learning
Program to calculate phase boundaries of multicomponent systems using Equations of State. WIP now suporting PT envelopes and PX envelopes with partial three-phase-behaviour
Thermodynamic compute primitives in Rust - Extropic THRML port + additions
Degenerate Primer Pair Assembler
This is a simple example of how to run CoolProp Javascript wrapper with Units handled by mathjs
Nucleic acid folding and melting temperature calculation
Repository for all of my work on modelling thermodynamic cycles using python and coolprop ; Hope this might be useful to someone! :-)
Ab-initio thermodynamics and Reaction Energy Profiles
Package to solve multiple chemical equilibria problems.
The purposes of the projects are to calculate and simulate the thermodynamic steam table temperatures by making use of VBA (Visual Basic Applications) and python scripts.
Python Thermodynamic Calculation Engine powered by PyThermoDB
A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.
ChemBIP is a versatile and powerful tool designed to estimate binary interaction parameters essential for Vapor Liquid Equilibrium (VLE).
Thermodynamic cycle of engine processes
chemical equilibrium solver with a Python API
HECSS is a Monte-Carlo, configuration space sampler using sample weighting algorithm for probability distribution sampling.
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