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base repository: choderalab/onion
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head repository: maxentile/onion
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  • 4 commits
  • 5 files changed
  • 1 contributor

Commits on Mar 10, 2016

  1. Configuration menu
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Commits on Mar 14, 2016

  1. tinker with different ways to define interfaces

    - Given a decomposition into Voronoi cells, and an ordering on those
    cells, how should we define successive interfaces?
    - One way is to use the Voronoi boundaries themselves. We can also
    define curved interfaces using the points they contain.
    maxentile committed Mar 14, 2016
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  2. tinker with a few ways to get kinetic "centrality" out of an MFPT matrix

    - also looks like the generalized-inverse computation might be
    transposed relative to what we want? and has non-zero entries on the
    diagonal
    maxentile committed Mar 14, 2016
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Commits on Aug 2, 2016

  1. add notebooks

    maxentile committed Aug 2, 2016
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