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sinagilassi/README.md

👋 Hi, I’m @sinagilassi

I specialize in the modeling and optimization of chemical processes, with a strong foundation in mass and energy balances, kinetic modeling, and numerical analysis. My passion for chemistry has driven me to apply Density Functional Theory (DFT) in the study of catalytic reaction mechanisms. I’m also deeply interested in the intersection of Machine Learning (ML) and chemical engineering, particularly its applications in reaction modeling and process optimization. Beyond research, I enjoy coding and developing scientific tools that enhance our understanding of complex chemical systems.

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  1. PyThermoDB PyThermoDB Public

    Python Thermodynamics Databook

    Jupyter Notebook 1

  2. GaussParse GaussParse Public

    Parse Gaussian Output Files

    Jupyter Notebook 1

  3. PubChemQuery PubChemQuery Public

    Quickly find chemical information using the PubChem API

    Python 2

  4. MolVizr3D MolVizr3D Public

    A Python package for loading, rendering, and interactively visualizing molecular structures in 3D from various formats like SDF.

    Python 2

  5. PyREMOT PyREMOT Public

    Python Reactor Modeling Tools

    Python 6 2

  6. PyMolinfo PyMolinfo Public

    Advanced molecular analysis by converting molecular structures into graph representations.

    Jupyter Notebook 2