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)

ht

Heat transfer component of Chemical Engineering Design Library (ChEDL)

biosteam

The Biorefinery Simulation and Techno-Economic Analysis Modules

thermosteam

BioSTEAM's Premier Thermodynamic Engine

pythermodb

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

tep-studio

TEP Studio — a schema-driven Python simulator for the modified Tennessee Eastman Process (fixed-step RK4 integrator, decentralized control, Gymnasium env, dataset tooling, web Studio).

pathsim-chem

PathSim Chemical Engineering Toolbox

pythermocalcdb

Python Thermodynamic Calculation Engine powered by PyThermoDB

pythermolinkdb

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

pythermomodels

Python Thermodynamic Models

feos

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

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.

gascompressibility

Gas compressibility z-factor calculator package in Python

massivechem

MASSIVEChem is a pip-installable package for analytical chemistry. It simulates molecule mass spectra and graphically displays them. It includes tools like a functional group finder and unsaturation calculator to aid chemical analysis.

ugropy

A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, Joback, and Abdulelah-Gani models are implemented.

chemics

A Python package for chemical engineering

polykin

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

cosmopharm

Predictive modeling for drug-polymer compatibility in pharmaceutical formulations using COSMO-SAC.

pycuc

Python Custom Unit Converter (PyCUC)

catkit

General purpose tools for high-throughput catalysis

pythermoflash

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

distillation

Modeling and Simulation of Multicomponent Distillation Columns

pcgym

Reinforcement learning environments for process control applications.