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    64 repositories

    • GenChem-Modeling-with-Colab

      Public
      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Oct 21, 2026Oct 21, 2026

    • virtual-screening-analysis

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Oct 20, 2026Oct 20, 2026

    • symmetry-and-bonding

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Oct 14, 2026Oct 14, 2026

    • portal

      Public
      HTML
      •10•2•0•7•Updated Aug 18, 2026Aug 18, 2026

    • treatment-of-experimental-data

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Aug 17, 2026Aug 17, 2026

    • 3D-surfaces-thermo

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Aug 17, 2026Aug 17, 2026

    • symbolic-operator-theory

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Aug 17, 2026Aug 17, 2026

    • foundational-symbolic-math

      Public
      Foundational module for using symbolic mathematics in Python
      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 31, 2026Jul 31, 2026

    • statistical-testing-beta

      Public
      Jupyter notebook for data analysis in an Analytical Chemistry Laboratory using masses of pennies to illustrate concepts in Gaussian statistics and hypothesis te…
      Jupyter Notebook
      •
      Creative Commons Attribution 4.0 International
      •0•0•0•0•Updated Jul 29, 2026Jul 29, 2026

    • bcce-2026

      Public
      Collecting notebooks, slides, & lesson plans for the ACT-CMS workshop at BCCE 2026.
      Jupyter Notebook
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      BSD 3-Clause "New" or "Revised" License
      •0•1•0•0•Updated Jul 27, 2026Jul 27, 2026

    • adiabatic-expansion-data-analysis

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 22, 2026Jul 22, 2026

    • absorption-of-conjugated-dyes-with-finite-well-PIB

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 22, 2026Jul 22, 2026

    • foundational-calculus-in-python

      Public
      Foundational module introducing the various cyberinfrastructure skills for performing calculus in Python.
      Other
      •0•0•0•0•Updated Jul 18, 2026Jul 18, 2026

    • Particle-In-A-Box-Energy-Calculations

      Public
      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 9, 2026Jul 9, 2026

    • intro-to-programming-with-chem-applications

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 9, 2026Jul 9, 2026

    • freezing-point-depression-molar-mass-determination

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      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 9, 2026Jul 9, 2026

    • calorimetry-data-analysis

      Public
      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jul 8, 2026Jul 8, 2026

    • plastic-monomers-ir-dft

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 26, 2026Jun 26, 2026

    • fooddye-uvvis-tddft

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 26, 2026Jun 26, 2026

    • Eyring-equation-kinetics-from-DFT-TS

      Public
      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • sequence-wrangling

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • Introduction-to-AI-Molecular-Dynamics

      Public
      Brief introduction to the ME642: Materials Modeling
      Jupyter Notebook
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      Other
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • electronic-absorption-conjugated-molecules

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • protein-structure-function-2

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • gibbs-free-energy-cobalt-lab

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • hartree-fock-combdiff

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • Python4ChemE

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • CHEM-405-605-Inorganic-Chemistry

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 25, 2026Jun 25, 2026

    • ai-molecular-dynamics

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 24, 2026Jun 24, 2026

    • molecular-biochemistry

      Public
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 24, 2026Jun 24, 2026
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