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jcwang587/README.md

Packages & Apps

  • 🔮 cgcnn2 - Reproduction of CGCNN for predicting material properties
  • 🗄️ drugo - Dash web app for managing the metabolic sites database
  • 🐳 iptainer - Container images for running machine learning interatomic potentials
  • 🚌 xdatbus - Python package for enhancing VASP AIMD simulations and analysis

Courses

  • 📝 math modeling - Jupyter Book for ChE 231 Mathematical Modeling Spring 2025

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  1. cgcnn2 Public

    Reproduction of CGCNN for predicting material properties

    Python 21 2

  2. xdatbus Public archive

    Python package for enhancing VASP AIMD simulations and analysis

    Python 12 2