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@SigmanGroup

SigmanGroup

Sigman Lab at the University of Utah

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  1. Threshold Threshold Public

    Python tool to assess data for single-parameter thresholds

    Jupyter Notebook 7 2

  2. Get_Properties Get_Properties Public

    automated collection and processing of molecular properties from Gaussian jobs

    Jupyter Notebook 2 4

Repositories

Showing 10 of 16 repositories
  • SMART-molecular-descriptors Public Forked from bmiller2783/SMARTpy

    An open-source Python package for generation of SMART probe pockets and calculation of molecular descriptors.

    SigmanGroup/SMART-molecular-descriptors’s past year of commit activity
    Python 1 MIT 1 0 0 Updated Dec 23, 2024
  • NCI-Diagnostic-Toolkit Public Forked from bmiller2783/NCI-Diagnostic-Toolkit
    SigmanGroup/NCI-Diagnostic-Toolkit’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Nov 24, 2024
  • Get_Properties Public

    automated collection and processing of molecular properties from Gaussian jobs

    SigmanGroup/Get_Properties’s past year of commit activity
    Jupyter Notebook 2 MIT 4 0 0 Updated Oct 2, 2024
  • small-molecule-partitioning Public

    Code for https://doi.org/10.1101/2022.12.19.521099

    SigmanGroup/small-molecule-partitioning’s past year of commit activity
    Jupyter Notebook 1 MIT 0 1 0 Updated Jul 24, 2024
  • Multi-Threshold-Analysis-Public Public
    SigmanGroup/Multi-Threshold-Analysis-Public’s past year of commit activity
    Python 0 0 0 0 Updated Jul 12, 2024
  • InteractivePlots Public Forked from Sierrahart/InteractivePlots

    Use of HoloViews (Bokeh backend) to generate interactive models and chemical space plots

    SigmanGroup/InteractivePlots’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated May 10, 2024
  • CopperMap Public

    Cu-catalyzed C–N coupling prediction tool

    SigmanGroup/CopperMap’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Dec 18, 2023
  • ullmann_project Public

    Optimized geometries and notebooks used in the Ullmann project

    SigmanGroup/ullmann_project’s past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated Dec 16, 2023
  • STX_Hydration_Equilibria Public

    DFT calculation of hydration equilibria for a series of saxitoxin (STX) derivatives (collaboration with the Looper Lab, University of Utah)

    SigmanGroup/STX_Hydration_Equilibria’s past year of commit activity
    0 MIT 0 0 0 Updated Dec 12, 2023
  • enzyme-MLR-GluER Public
    SigmanGroup/enzyme-MLR-GluER’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Feb 14, 2023
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