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khuddzu/README.md

Hi 👋, I'm Kate Huddleston

khuddzu

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🌱 Research Software Engineer with OpenADMET, a project branch of OMSF. In this work, I am focusing on 3D structure modeling for prediction of ADMET properties.

🌱 Postdoctoral research done at the University of Florida, working in the Miranda-Quintana Group, where I contributed to the development of the clustering algorithm BitBIRCH, as well as the similarity framework iSIM.

🌱 PhD received at the University of Florida, working in the Roitberg Group, where I contributed to .

🌱 My research has been dedicated to ML techniques, specifically predictive models, for the purpose of aiding in drug design. My interests have focused on prediction of local atomic properties, with an emphasis on electrostatics.

Connect with me:

khuddzu khuddzu

Languages and Tools:

python pytorch pandas git seaborn linux bash

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  1. OpenADMET/openadmet-models OpenADMET/openadmet-models Public

    Machine learning workflows for the OpenADMET project

    Python 34 5

  2. mqcomplab/iSIM mqcomplab/iSIM Public

    Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real …

    Python 59 15

  3. mqcomplab/bitbirch mqcomplab/bitbirch Public

    BitBIRCH clustering algorithm

    Python 115 30

  4. cdever01/ani-2x_results cdever01/ani-2x_results Public

    Code to recreate the results in the ANI-2x publication

    Jupyter Notebook 4