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

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.

spheropack

Random sphere packings in Python: exact event-driven Lubachevsky-Stillinger algorithm (C++20 core), jamming protocol, packed tubes, structure analysis

gnnpcsaftpropertypackage

GNNPCSAFT CAPE-OPEN Property Package

feos

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

gascompressibility

Gas compressibility z-factor calculator package in Python

gnnepcsaft

GNNPCSAFT Project

pathsim-chem

PathSim Chemical Engineering Toolbox

gnnepcsaft-mcp-server

Model Context Protocol server for GNNPCSAFT tools

pythermolinkdb

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

pythermodb

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

chemics

A Python package for chemical engineering

massivechem

MASSIVEChem is a pip-installable package centred around mass spectrometry

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.

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

Python Thermodynamic Calculation Engine powered by PyThermoDB

pycuc

Python Custom Unit Converter (PyCUC)

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.

gaspype

Performant library for thermodynamic calculations and equilibrium reactions

pcgym

Reinforcement learning environments for process control applications.