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  1. pyGSM pyGSM Public

    Thermal and photochemical reaction path optimization and discovery

    Python 58 26

  2. molecularGSM molecularGSM Public

    code for single-ended and double-ended molecular GSM

    C++ 55 30

  3. conformer-rl conformer-rl Public

    A deep reinforcement learning library for conformer generation.

    Python 18 5

  4. ActiveTransfer ActiveTransfer Public

    Jupyter Notebook 14 1

  5. ZStruct ZStruct Public

    code for ZStruct-2

    C++ 13 6

  6. py-conformational-sampling py-conformational-sampling Public

    Python 9 1

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  • SlaterGPU Public
    ZimmermanGroup/SlaterGPU’s past year of commit activity
    C++ 6 3 7 3 Updated Dec 26, 2024
  • SymbolicRegression.jl Public Forked from MilesCranmer/SymbolicRegression.jl

    Distributed High-Performance Symbolic Regression in Julia

    ZimmermanGroup/SymbolicRegression.jl’s past year of commit activity
    Julia 0 Apache-2.0 91 0 1 Updated Dec 17, 2024
  • ZimmermanGroup/py-conformational-sampling’s past year of commit activity
    Python 9 MIT 1 20 3 Updated Oct 31, 2024
  • LabelRanking Public

    Code accompanying "Recommending reaction conditions with label ranking"

    ZimmermanGroup/LabelRanking’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Sep 12, 2024
  • ZStruct Public

    code for ZStruct-2

    ZimmermanGroup/ZStruct’s past year of commit activity
    C++ 13 6 2 0 Updated Aug 31, 2024
  • bandit-doyle Public Forked from beef-broccoli/deebo

    Source for Doyle lab bandit optimization algorithm

    ZimmermanGroup/bandit-doyle’s past year of commit activity
    Jupyter Notebook 0 MIT 2 0 0 Updated Jul 26, 2024
  • ZimmermanGroup/Adaptive_sampling_for_discovery’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Jul 23, 2024
  • pyGSM Public

    Thermal and photochemical reaction path optimization and discovery

    ZimmermanGroup/pyGSM’s past year of commit activity
    Python 58 MIT 26 26 5 Updated May 11, 2024
  • PySR Public Forked from MilesCranmer/PySR

    High-Performance Symbolic Regression in Python and Julia

    ZimmermanGroup/PySR’s past year of commit activity
    Python 0 Apache-2.0 229 0 0 Updated May 7, 2024
  • conformer-rl Public

    A deep reinforcement learning library for conformer generation.

    ZimmermanGroup/conformer-rl’s past year of commit activity
    Python 18 MIT 5 6 2 Updated Apr 15, 2024

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