🧪 Chemical Engineering

ASE (Atomic Simulation Environment)

• Description: A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.

• Use Case: Used in molecular modeling, material science, and chemical reaction simulations.

• Documentation: ASE Documentation

• GitHub Repository: ASE GitHub

Cantera

• Description: An open-source suite of tools for problems involving chemical kinetics, thermodynamics, and transport processes.

• Use Case: Used for solving problems in combustion, chemical kinetics, and thermodynamic calculations.

• Documentation: Cantera Documentation

• GitHub Repository: Cantera GitHub

ChemPy

• Description: A Python package useful for solving problems in chemistry.

• Use Case: Chemical kinetics, equilibrium, and thermodynamics calculations.

• Documentation: ChemPy Documentation

• GitHub Repository: ChemPy GitHub

CoolProp

• Description: A thermophysical property database and wrappers for several programming languages.

• Use Case: Used for thermodynamic calculations and property evaluations in chemical engineering.

• Documentation: CoolProp Documentation

• GitHub Repository: CoolProp GitHub

DWSIM

• Description: An open-source chemical process simulator.

• Use Case: Chemical process modeling, simulation, design, optimization, and analysis.

• Documentation: DWSIM Documentation

• GitHub Repository: DWSIM GitHub

Matplotlib

• Description: A plotting library for creating static, animated, and interactive visualizations.

• Use Case: Generating plots and charts for visualizing chemical engineering data and simulation results.

• Documentation: Matplotlib Documentation

• GitHub Repository: Matplotlib GitHub

NumPy

• Description: The fundamental package for scientific computing with Python.

• Use Case: Handling numerical computations for process simulations and calculations in chemical engineering.

• Documentation: NumPy Documentation

• GitHub Repository: NumPy GitHub

Pandas

• Description: Data analysis and manipulation library.

• Use Case: Organizing and analyzing chemical process data, laboratory results, and operational data.

• Documentation: Pandas Documentation

• GitHub Repository: Pandas GitHub

Pyomo

• Description: An open-source software package for formulating and solving large-scale optimization problems.

• Use Case: Used in process optimization, design, and operational decision-making in chemical engineering.

• Documentation: Pyomo Documentation

• GitHub Repository: Pyomo GitHub

RDKit

• Description: An open-source cheminformatics software.

• Use Case: Cheminformatics, molecular modeling, and chemical structure analysis.

• Documentation: RDKit Documentation

• GitHub Repository: RDKit GitHub

Scikit-learn

• Description: Machine learning in Python.

• Use Case: Predictive modeling and data analysis in chemical engineering applications, like process optimization and fault detection.

• Documentation: Scikit-learn Documentation

• GitHub Repository: Scikit-learn GitHub

SciPy

• Description: An open-source Python library used for scientific and technical computing.

• Use Case: Technical computations and simulations in chemical engineering research.

• Documentation: SciPy Documentation

• GitHub Repository: SciPy GitHub

Seaborn

• Description: A Python data visualization library based on Matplotlib.

• Use Case: Creating informative and attractive statistical graphics in chemical engineering research and data analysis.

• Documentation: Seaborn Documentation

• GitHub Repository: [Seaborn GitHub](https://github.com

/mwaskom/seaborn)

SymPy

• Description: A Python library for symbolic mathematics.

• Use Case: Solving symbolic equations and expressions in chemical process modeling and reaction engineering.

• Documentation: SymPy Documentation

• GitHub Repository: SymPy GitHub

TensorFlow

• Description: An open-source software library for machine learning applications.

• Use Case: Developing machine learning models for process optimization, predictive maintenance, and system identification in chemical engineering.

• Documentation: TensorFlow Documentation

• GitHub Repository: TensorFlow GitHub