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  1. AcetaminophenSynthesis AcetaminophenSynthesis Public

    Computational chemistry study of acetaminophen synthesis from 4-aminophenol and acetic anhydride, including xTB optimization, vibrational analysis, and thermodynamics in gas phase and water.

    Python

  2. AstroGeoStats AstroGeoStats Public

    Computational archaeoastronomy toolkit for analyzing astronomical correlations between ancient structures and celestial configurations using geometry, simulations, and statistical modeling.

    Jupyter Notebook

  3. Pi3kCancerStructuralBiologyWorkflow Pi3kCancerStructuralBiologyWorkflow Public

    This repository documents a cancer-focused PI3K structural biology workflow, including docking validation, structural alignment, and virtual screening against human and fungal targets.

    Jupyter Notebook

  4. EmanuelGarciaR/server-scheduling EmanuelGarciaR/server-scheduling Public

    Server Scheduling

    Python 1