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Focusing
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Focusing
92 followers · 160 following

Achievements

Achievement: Galaxy Brainx2Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: YOLOAchievement: QuickdrawAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Galaxy Brainx2Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: YOLOAchievement: QuickdrawAchievement: Arctic Code Vault Contributor

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@MDAnalysis

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hmacdope/README.md

Hi there, I'm Dr Hugo MacDermott-Opeskin! 👋

I'm a research software engineer working at the interface of machine learning, drug discovery, biophysics, and high performance computing.

I’m currently working on a bunch of cool stuff with the OpenADMET Chodera lab, ASAP Discovery, and MDAnalysis teams!

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  1. distopia Public

    Forked from MDAnalysis/distopia

    trying out SSE instructions for faster distance calculations

    C++

  2. mdanalysis Public

    Forked from MDAnalysis/mdanalysis

    MDAnalysis is a Python library to analyze molecular dynamics trajectories.

    Python

  3. hmacdope.github.io Public

    HTML

  4. pytng Public

    Forked from MDAnalysis/pytng

    Python bindings for TNG file format

    C 1

  5. alchemiscale Public

    Forked from OpenFreeEnergy/alchemiscale

    protein-ligand alchemical free energy calculations via Folding@Home

    Python

  6. asapdiscovery/asapdiscovery Public

    Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium

    Python 37 1