Projects in Awesome Lists by sinagilassi
A curated list of projects in awesome lists by sinagilassi .
https://github.com/sinagilassi/pyremot
Python Reactor Modeling Tools
chemical-engineering packed-bed-reactor parameter-estimation process-simulation reaction-enginnering
Last synced: 14 Jul 2025
https://github.com/sinagilassi/langgraph-multi-agent-supervisor
LangGraph: Multi-Agent Supervisor Chatting with a User
langchain langchain-agents langgraph langgraph-agents langgraph-multi-agent-supervisor multi-agent-supervisor
Last synced: 21 Sep 2025
https://github.com/sinagilassi/mozichem-hub
A modular Python toolkit for creating MCP modules tailored to chemical engineering and chemistry workflows.
chemical-engineering chemistry eos-models-mcp flash-calculations-mcp llm mcp-server mcp-server-for-chemical-engineering-calculations mcp-tools model-context-protocol thermodynamic-mcp
Last synced: 12 Sep 2025
https://github.com/sinagilassi/pymolinfo
Advanced molecular analysis by converting molecular structures into graph representations.
chemistry graph-networks molecular-graph molecular-visualization pymolinfo
Last synced: 25 Jul 2025
https://github.com/sinagilassi/pubchemquery
Quickly find chemical information using the PubChem API
Last synced: 02 Nov 2025
https://github.com/sinagilassi/gaussparse
Parse Gaussian Output Files
chemistry computational-chemistry dft energy-reaction-profile gaussian-software irc-profile natural-bond-orbitals nbo-parser
Last synced: 28 Jan 2026
https://github.com/sinagilassi/pyctpm
Python Chemical Thermodynamics for Process Modeling
chemical-engineering process-modeling process-simulation thermodynamic-properties thermodynamics
Last synced: 02 Nov 2025
https://github.com/sinagilassi/pythermodb
Python Thermodynamics Databook
chemical-engineering pythermodb thermodynamic-properties thermodynamics
Last synced: 02 Nov 2025
https://github.com/sinagilassi/pycuc
Python Custom Unit Converter
chemical-engineering custom-unit-converter pycuc unit-converter
Last synced: 02 Nov 2025
https://github.com/sinagilassi/pyreactlab
Analyze reactions and evaluate thermodynamic feasibility.
chemical-engineering equilibrium-constant kinetics reaction-analysis thermodynamic-analysis
Last synced: 15 May 2025
https://github.com/sinagilassi/pythermolinkdb
A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.
chemical-engineering chemistry pythermodb pythermolinkdb thermodynamic-calculations thermodynamics
Last synced: 31 Mar 2025
https://github.com/sinagilassi/gaussnbo
A Python package for parsing Natural Bond Orbital (NBO) data from Gaussian log files.
Last synced: 25 Oct 2025
https://github.com/sinagilassi/mozichem-ai
MoziChem-AI brings powerful analysis tools to your browser with AI-driven workflows.
Last synced: 17 Aug 2025
https://github.com/sinagilassi/mozichem-mcp
A collection of Model Context Protocol (MCP) servers for chemical engineering and chemistry applications, built on top of the powerful MoziChem framework.
mcp mcp-eos-models mcp-flash-calculation mcp-for-chemical-engineering mcp-server model-context-protocol mozichem-ai mozichem-hub
Last synced: 17 Aug 2025
https://github.com/sinagilassi/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.
chemical-engineering pythermodb thermodynamic-data thermodynamics
Last synced: 30 Aug 2025
https://github.com/sinagilassi/pythermoflash
PyThermoFlash is a Python package for performing thermodynamic vle calculations for various fluid systems.
bubble-point-calculation chemical-engineering dew-point-calculation equilibrium flash-calculations phase-equilibrium thermodynamics vapor-liquid-equilibrium vle-calculations
Last synced: 15 May 2025
https://github.com/sinagilassi/pythermomodels
Python Thermodynamic Models
activity-coefficient chemical-engineering equation-of-state non-random-two-liquid-model nrtl peng-robinson-equation redlich-kwong soave-redlich-kwong thermodynamic-models thermodynamic-properties uniquac universal-quasichemical van-der-waals
Last synced: 15 May 2025
https://github.com/sinagilassi/molvizr3d
A Python package for loading, rendering, and interactively visualizing molecular structures in 3D from various formats like SDF.
chemistry molecule-viewer molecule-visualization
Last synced: 02 Nov 2025
https://github.com/sinagilassi/sinagilassi
Config files for my GitHub profile.
Last synced: 05 Feb 2026