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ZimmermanGroup

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  1. pyGSM pyGSM Public

    Thermal and photochemical reaction path optimization and discovery

    Python 82 38

  2. molecularGSM molecularGSM Public

    code for single-ended and double-ended molecular GSM

    C++ 68 35

  3. conformer-rl conformer-rl Public

    A deep reinforcement learning library for conformer generation.

    Python 20 5

  4. ZStruct ZStruct Public

    code for ZStruct-2

    C++ 17 7

  5. ActiveTransfer ActiveTransfer Public

    Jupyter Notebook 15 2

  6. SlaterGPU SlaterGPU Public

    C++ 13 5

Repositories

Showing 10 of 37 repositories
  • SlaterGPU Public
    ZimmermanGroup/SlaterGPU's past year of commit activity
    C++ 13 5 20 2 Updated Sep 30, 2026
  • XC100 Public

    Wavefunction-derived exchange-correlation energy dataset for 100 atomic and molecular species.

    ZimmermanGroup/XC100's past year of commit activity
    0 0 0 0 Updated Sep 22, 2026
  • ReactivityNetwork Public

    Navigating parallel library synthesis with a Reactivity Map

    ZimmermanGroup/ReactivityNetwork's past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Sep 5, 2026
  • py-conformational-sampling Public
    ZimmermanGroup/py-conformational-sampling's past year of commit activity
    Python 10 MIT 3 20 4 Updated Aug 13, 2026
  • pyGSM Public

    Thermal and photochemical reaction path optimization and discovery

    ZimmermanGroup/pyGSM's past year of commit activity
    Python 82 MIT 38 27 5 Updated Aug 13, 2026
  • pixi-nvhpc-recipe Public

    Testing out pixi build recipe for using pixi to manage projects built with nvidia hpc sdk

    ZimmermanGroup/pixi-nvhpc-recipe's past year of commit activity
    Shell 1 MIT 0 1 0 Updated Aug 3, 2026
  • molecularGSM Public

    code for single-ended and double-ended molecular GSM

    ZimmermanGroup/molecularGSM's past year of commit activity
    C++ 68 MIT 35 6 2 Updated Jun 30, 2026
  • Jellyfish Public Forked from FabianLangkabel/Jellyfish
    ZimmermanGroup/Jellyfish's past year of commit activity
    C++ 0 GPL-3.0 2 0 0 Updated Oct 27, 2025
  • lecture_content Public

    Class materials.

    ZimmermanGroup/lecture_content's past year of commit activity
    0 0 0 0 Updated Oct 19, 2025
  • Test-SlaterGPU-as-dependency Public
    ZimmermanGroup/Test-SlaterGPU-as-dependency's past year of commit activity
    0 0 0 0 Updated Jun 24, 2025
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