bowman-lab/enspara

Issues

• TypeError: argument of type 'NoneType' is not iterable

  #240 opened 11 days ago by philippschnee
  1

• Mpi4py in documentation

  #237 opened 2 months ago by upasana-m
  0

• Parallelization

  #66 opened 7 years ago by mizimmer90
  2

• Allow for subsampling of featured trajectories

  #232 opened 5 months ago by Justin-J-Miller
  2

• Add tolerance exit for Kmedoids

  #234 opened 5 months ago by Justin-J-Miller
  0

• Add intermediate write out for kcenters during clustering?

  #233 opened 5 months ago by Justin-J-Miller
  0

• nose -> pytests?

  #223 opened 7 months ago by Justin-J-Miller
  4

• Pooled clustering followed by reassignment

  #199 opened 7 months ago by PeptideSimulator01
  1

• Warning when creating ragged arrays

  #219 opened 7 months ago by Justin-J-Miller
  1

• Getting enspara installable on ARM machines

  #214 opened 7 months ago by sukritsingh
  13

• Saving cluster centers with 'trj_filename'

  #205 opened 8 months ago by sbhakat
  3

• SASA-Exposon calculation problem

  #221 opened a year ago by H-EKE
  2

• pockets.py returning None for no-pockets breaks FAST-pockets

  #220 opened a year ago by Justin-J-Miller
  2

• Enspara problems with Ragged Array flattening

  #217 opened a year ago by matthew-cruz
  3

• enspara not executing correctly

  #204 opened 3 years ago by MMLawal
  8

• Issue with ra.py module

  #216 opened 2 years ago by BJWiley233
  4

• AttributeError: 'numpy.ndarray' object has no attribute 'toarray'

  #206 opened 3 years ago by sbhakat
  4

• Setup.py and documentation question

  #203 opened 3 years ago by matthew-cruz
  3

• cluster.py fails if paths have no directory spec

  #195 opened 5 years ago by justinrporter
  3

• Distance measurement as feature input

  #200 opened 4 years ago by PeptideSimulator01
  0

• No topology if different trajectories loaded

  #198 opened 5 years ago by PeptideSimulator01
  1

• Number of frames distributed to centroids

  #194 opened 5 years ago by PeptideSimulator01
  1

• Bad file extensions in cluster.py's --center-features don't error

  #178 opened 5 years ago by justinrporter
  2

• articles.json not copied by install

  #187 opened 5 years ago by rafwiewiora
  2

• OpenMP Parallelization

  #115 opened 5 years ago by justinrporter
  1

• RaggedArray in three dimensions fails to identify even array

  #174 opened 5 years ago by justinrporter
  0

• RaggedArray third-dimension slice

  #164 opened 5 years ago by justinrporter
  1

• RaggedArray fails with len(shape) >= 3 and slices

  #54 opened 5 years ago by justinrporter
  1

• RaggedArray [:] assignment fails

  #171 opened 5 years ago by justinrporter
  0

• UnpickleableException

  #156 opened 5 years ago by srgari
  17

• BACE broken?

  #123 opened 6 years ago by justinrporter
  0

• cluster.py output flags fail if no directory is specified

  #149 opened 6 years ago by justinrporter
  0

• repr of clustering broken

  #118 opened 6 years ago by mizimmer90
  0

• MLE Builder

  #122 opened 6 years ago by justinrporter
  1

• Memory allocation in cluster rmsd app

  #112 opened 6 years ago by thmsfrederick
  0

• n_procs in msm.timescales has no effect

  #7 opened 8 years ago by justinrporter
  3

• implied_timescales sometimes produces large, negative eigenvalues

  #8 opened 8 years ago by justinrporter
  0

• Clusterer `centers` property

  #14 opened 7 years ago by mizimmer90
  0

• clustering naming

  #15 opened 8 years ago by mizimmer90
  1

• MSM analysis additions

  #16 opened 8 years ago by mizimmer90
  0

• Testing warnings

  #24 opened 6 years ago by justinrporter
  0

• msm does not fit when parallelized

  #89 opened 7 years ago by mizimmer90
  1

• RaggedArray.__getitem__ fails on 2d lists

  #44 opened 8 years ago by justinrporter
  0

• ragged array disables error checking erroneiously

  #36 opened 8 years ago by justinrporter
  0

• RaggedArray.__setitem__ on all-False index fails

  #42 opened 8 years ago by justinrporter
  0

• `partition_list` and `_partition_list`

  #26 opened 8 years ago by justinrporter
  2

• RaggedArray does not implement shape

  #17 opened 8 years ago by justinrporter
  1