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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 40 1

1,669 contributions in the last year

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Activity overview

Loading A graph representing hmacdope's contributions from July 21, 2024 to July 26, 2025. The contributions are 57% commits, 18% issues, 14% pull requests, 11% code review.

Contribution activity

July 2025

Created 1 repository

Created a pull request in Becksteinlab/imdclient that received 2 comments

Delete imdclient/data/namd/md/namd3

Fixes #103 Removes stray NAMD binary from source tree

+0 −0 lines changed 2 comments
Opened 5 other pull requests in 4 repositories

Created an issue in JacksonBurns/neural-pairwise-regression that received 1 comment

Clarify LICENSE

@JacksonBurns would you be able to clarify the license under which this code is distributed? We are looking to add Nepare to our model suite: OpenA…

1 comment
Opened 14 other issues in 3 repositories
19 contributions in private repositories Jul 2 – Jul 25
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