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Pinned

  1. Liu-group/AutoSolvate Liu-group/AutoSolvate Public

    Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules

    Python 45 10

  2. CV-latex CV-latex Public

    TeX

  3. ClementiGroup/ExTASY ClementiGroup/ExTASY Public

    user-friendly and scalably execute adaptive sampling molecular dynamics on HPCs

    Python 1 3

  4. MLbook MLbook Public

    Forked from Liu-group/MLbook

    Case study for the "Quantum Chemistry in the Age of Machine Learning" book chapter

    Jupyter Notebook

  5. hruska-lab/hruska-lab.github.io hruska-lab/hruska-lab.github.io Public

    Hruška Lab Website

    HTML