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Chemical Engineering Python Packages

Python packages with the GitHub topic chemical-engineering. Sorted by relevance, with stars and monthly downloads.
CalebBell
fluids

Fluid dynamics component of Chemical Engineering Design Library (ChEDL)

100K 436 86
CalebBell
thermo

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

68K 752 131
BioSTEAMDevelopmentGroup
biosteam

The Biorefinery Simulation and Techno-Economic Analysis Modules

23K 251 56
BioSTEAMDevelopmentGroup
thermosteam

BioSTEAM's Premier Thermodynamic Engine

13K 76 14
CalebBell
ht

Heat transfer component of Chemical Engineering Design Library (ChEDL)

7K 239 42
Open-Pectus
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.

6K 11 1
sinagilassi
pythermodb

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

4K 3 0
sinagilassi
pythermolinkdb

PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB` and other applications.

3K 1 0
feos-org
feos

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

2K 186 31
sinagilassi
pythermocalcdb

Python Thermodynamic Calculation Engine powered by PyThermoDB

2K 1 0
ThomasCsson
massivechem

MASSIVEChem is a pip-installable package centred around mass spectrometry

2K 15 1
wigging
chemics

A Python package for chemical engineering

2K 206 21
aegis4048
gascompressibility

Gas compressibility z-factor calculator package in Python

2K 31 8
pathsim
pathsim-chem

PathSim Chemical Engineering Toolbox

2K 4 3
sinagilassi
pythermomodels

PyThermoModels is an open-source Python package designed to facilitate thermodynamic modeling and calculations. This package provides a comprehensive and user-friendly interface to popular thermodynamic models, enabling quick and accurate estimation of key properties.

2K 3 0
sinagilassi
pycuc

Python Custom Unit Converter (PyCUC)

1K 1 0
ivanantolo
cosmopharm

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

1K 4 0
sinagilassi
pythermocalcdb-nasa

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

933 1 0
sinagilassi
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.

926 1 0
SUNCAT-Center
catkit

General purpose tools for high-throughput catalysis.

904 104 60
HugoMVale
polykin

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

861 18 4
sinagilassi
pymemsim-mcp

PyMemSim-MCP is an MCP-enabled extension of PyMemSim that integrates model-source-driven thermodynamic data with membrane process simulations.It enables LLMs and agents to interact with membrane models through standardized, machine-readable inputs, ensuring unit consistency, reproducibility, and reliable AI-assisted workflows.

674 1 0
sinagilassi
pyreactlab

Analyze reactions and evaluate thermodynamic feasibility.

594 1 0
lf-santos
dwsimopt

The 'dwsimopt' is a Python library that automates DWSIM simulations for process optimization.

537 26 6
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