27 projects
pyreactsim-core
pyreactsim-core is a Python package for representing reaction rates. It provides a flexible and extensible framework for defining and working with reaction rates in chemical engineering applications.
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.
pyThermoDB
PyThermoDB is a lightweight and user-friendly Python package designed to provide quick access to essential thermodynamic data.
pymemsim
PyMemSim is a Python package for modelling of membrane-based separation systems.
pycuc
PyCUC: A lightweight Python package for creating custom unit conversions. Easily define and convert between units with simplicity and flexibility.
pyreactsim
PyReactSim is a Python package for steady-state chemical reactor simulation, integrating reaction kinetics, thermodynamics, and reactor design tools.
pythermocalcdb-nasa
A NASA-polynomial thermochemistry engine for reaction and equilibrium calculations.
pythermocalcdb
Python Thermodynamic Calculation Engine powered by PyThermoDB.
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.
PyThermoLinkDB
PyThermoLinkDB is a Python package providing a robust and efficient interface between `PyThermoDB` and other applications.
pythermodb-settings
PyThermoDB Settings is a Python package that acts as an interface between PyThermDB and other applications, providing robust, Pydantic-based data models and configuration structures for managing thermodynamic database (ThermoDB) settings.
pyThermoFlash
PyThermoFlash is a powerful and user-friendly computational tool tailored for engineers, researchers, and scientists working with thermodynamic systems. It specializes in performing bubble-point, dew-point, and flash calculations, which are essential for determining the equilibrium state of mixtures under specified conditions. With support for various thermodynamic models, PyThermoFlash ensures accurate predictions of phase behavior and properties for complex fluid systems.
pyThermoEst
A Python toolkit for estimating thermodynamic properties
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.
PyReactLab
PyReactLab is an open-source Python package designed to analyze chemical reactions and theoretically assess their thermodynamic feasibility.
mozichem-hub
MoziChem-Hub
pythermoai
PyThermoAI is a Python package that leverages intelligent agents to search the web for thermodynamic data and equations, and seamlessly integrates the results into PyThermoDB.
mozichem-mcp
MoziChem MCP tools built on top of the MoziChem framework
mozichem-ai
MoziChem-AI brings powerful analysis tools to your browser with AI-driven workflows.
GaussParse
GaussParse is a python package to parse Gaussian output files.
GaussNBO
GaussNBO is a Python package for parsing Natural Bond Orbital (NBO) data from Gaussian log files.
PyMolinfo
PyMolinfo provides comprehensive molecular information and analysis.
Molinfo
Molinfo provides comprehensive molecular information and analysis.
MolVizr3D
MolVizr3D: Molecular Visualizer in 3D.
PubChemQuery
A Python Package for Accessing Chemical Information from PubChem (https://pubchem.ncbi.nlm.nih.gov/).
PyCTPM
Python Chemical Thermodynamics for Process Modeling (PyCTPM)
PyREMOT
Python Reactor Modeling Tools (PyREMOT)
