fiona-naughton

Pinned Repositories

fiona-naughton.github.io
Language:CSS10
MDAKits
The MDAnalysis Toolkits Registry
Language:Python00
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Language:Python00
US-analysis
Assorted code for the setup and analysis of Umbrella Sampling simulations
Language:Python00
MDAKits
The MDAnalysis Toolkits Registry
Language:Python13 3 8421
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Language:Python1.3k 41 2.2k641
MDAnalysis.github.io
MDAnalysis home page mdanalysis.org as GitHub pages.
Language:CSS14 14 12939
UserGuide
User Guide for MDAnalysis
Language:Python22 13 16331
WorkshopPrace2021
Materials for the 2021 PRACE Workshop @ SurfSARA
Language:Jupyter Notebook30 17 236

fiona-naughton's Repositories

fiona-naughton/fiona-naughton.github.io
Language:CSS10
fiona-naughton/MDAKits
The MDAnalysis Toolkits Registry
Language:Python00
fiona-naughton/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Language:Python00
fiona-naughton/US-analysis
Assorted code for the setup and analysis of Umbrella Sampling simulations
Language:Python00