Chemical Engineering Python Packages

fluids

Fluid dynamics component of Chemical Engineering Design Library (ChEDL)

thermo

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

biosteam

The Biorefinery Simulation and Techno-Economic Analysis Modules

thermosteam

BioSTEAM's Premier Thermodynamic Engine

ht

Heat transfer component of Chemical Engineering Design Library (ChEDL)

openpectus

Pectus is a process control system for Unit Operations such as filtration, chromatography, precipitation, solubilization and refolding. Pectus implements a language called P-code which is used to write methods and control components on the Unit Operation.

pythermodb

Python Thermodynamics Databook to easily build and quickly access essential thermodynamic data.

pythermocalcdb

Python Thermodynamic Calculation Engine powered by PyThermoDB

pythermolinkdb

A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.

feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory

gascompressibility

Gas compressibility z-factor calculator package in Python

chemics

A Python package for chemical engineering

massivechem

MASSIVEChem is a pip-installable package centred around mass spectrometry

pycuc

Python Custom Unit Converter (PyCUC)

pythermomodels

Python Thermodynamic Models

pathsim-chem

PathSim Chemical Engineering Toolbox

polykin

A Python library for polymerization kinetics and related chemical engineering calculations.

pyreactlab-core

PyReactLab-Core is the core foundation of the PyReactLab ecosystem, offering shared data structures and algorithms for chemical reaction representation, stoichiometry, and reaction analysis.

cosmopharm

A comprehensive toolkit for predicting drug-polymer and drug-solvent system behavior using the COSMO-SAC model, aimed at enhancing the development of pharmaceutical amorphous solid dispersions and miscibility studies.

pythermocalcdb-nasa

A NASA-polynomial thermochemistry engine for reaction and equilibrium calculations.

catkit

General purpose tools for high-throughput catalysis

pyheatintegration

Python package to support heat integration.

pythermoflash

PyThermoFlash is a Python package for performing thermodynamic vle calculations for various fluid systems.

pyvaporation

The solution for modelling pervaporation membrane performance based on experimental data