Oliver Beckstein orbeckst
orbeckst
/ distances-legacy-0.ipynb
Last active
June 12, 2021 05:00
Analysis of moving across the board in the game Pandemic Legacy Season 0.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
orbeckst
/ polymer_rdf_COM.ipynb
Last active
June 29, 2023 12:05
Radial distribution function (RDF) calculation of the centers of mass of molecules with MDAnalysis.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
orbeckst
/ regularized_function_example.ipynb
Last active
August 20, 2020 22:59
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
orbeckst
/ pmda-rmsf-example.ipynb
Last active
October 19, 2020 10:36
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
orbeckst
/ xtc_vs_memreader.py
Created
June 12, 2019 17:58
Testing memory consumption of the MDAnalysis XTCReader vs MemoryReader. See https://github.com/MDAnalysis/mdanalysis/wiki/memory-profiling
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| # -*- coding: utf-8 -*- | |
| # load trajectory and iterate | |
| import numpy as np | |
| import tqdm | |
| import MDAnalysis as mda | |
| import gc | |
orbeckst
/ dihedral_benchmark.ipynb
Last active
August 27, 2018 16:59
benchmarking dihedral featurization in MDAnalysis
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
orbeckst
/ testing_get_matching_atoms.ipynb
Last active
March 7, 2018 20:54
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
NewerOlder