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Last active March 31, 2017 21:48
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MDAnalysis performance improvements under new topology model
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topology_scaling.ipynb
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@orbeckst
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orbeckst commented Jul 5, 2016

The notebook says that the benchmark system are not available but we recently put them on figshare (as also mentioned in the updated README for the vesicle_library):

A set of large vesicle systems, ranging in size from 1.75 M to 10 M particles are made available under doi:10.6084/m9.figshare.3406708.

@orbeckst
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@dotsdl please fix the notebook as it holds up MDAnalysis/MDAnalysis.github.io#41 (see also MDAnalysis/MDAnalysis.github.io#41 (comment) )

  • fix availability of vesicle library
  • remove stupid json warnings

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