Hugo MacDermott-Opeskin

Open Geospatial Consortium — United States

Computer Science · Physical Sciences

0h-index0citations16works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(3), Research Data Management Practices(2), Machine Learning in Materials Science(2), Scientific Computing and Data Management(2), vaccines and immunoinformatics approaches(2)

Publications16 total

Zarrtraj: A Python package for streaming molecular dynamics trajectories from cloud services
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Zarrtraj: A Python package for streaming molecular dynamics trajectories from cloud services
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Zarrtraj: A Python package for streaming molecular dynamics trajectories from cloud services
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Journal of Chemical Information and Modeling·2026
gufe
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
alchemiscale-fah
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
alchemiscale-fah
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
BPS2026 – MDAnalysis as a universal connector for molecular dynamics simulation data
Biophysical Journal·2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
2026Open Access
gufe
Open MIND·2026Open Access
alchemiscale-fah
Open MIND·2026Open Access
alchemiscale-fah
Open MIND·2026Open Access
alchemiscale-fah
Open MIND·2026Open Access
gufe
Open MIND·2026Open Access
How Geoscience Can Help Fix Molecular Simulation's Data Problem
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
How Geoscience Can Help Fix Molecular Simulation's Data Problem
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access

Frequent Co-authors

Lawson J. Woods(4), Edis Jakupovic(3), Yuxuan Zhuang(3), Oliver Beckstein(3), Irfan Alibay(3), Richard Gowers(2), Richard J. Gowers(2), Irfan Alibay(2), David L. Dotson(2), David W.H. Swenson(2), Michael M. Henry(2), Benjamin Ries(2), Joshua A. Mitchell(2), Hannah M. Baumann(2), Matthew W. Thompson(2), Ian M. Kenney(2), Joshua T. Horton(2), Georgy Andreev(2), Alyssa Travitz(2), Iván J. Pulido(2)