theochem/procrustes

Issues

• pinv2 deprecated

  #197 opened 4 months ago by dannyrichy
  24

• Another round of code review for GSoC

  #196 opened 4 months ago by FanwangM
  1

• Support Weight Matrices

  #202 opened a year ago by PaulWAyers
  0

• Generalized Procrustes

  #76 opened 4 years ago by FarnazH
  8

• One-Sided Procrustes for Toeplitz matrices

  #84 opened 4 years ago by PaulWAyers
  5

• Update the summary table when #98 is done

  #188 opened 2 years ago by FanwangM
  0

• More algorithms on `PSDP`

  #194 opened 2 years ago by FanwangM
  18

• 2-sided Orthogonal Procrustes for Rectangular Matrices

  #49 opened 4 years ago by PaulWAyers
  0

• Failing testing, `test_psdp_woodgate_non_full_rank`

  #190 opened 2 years ago by FanwangM
  11

• L-1 procrustes

  #115 opened 3 years ago by choltz95
  10

• Would be nice to have the used scaling and translation returned in the answer

  #166 opened 2 years ago by esoinila
  9

• positive semi-definite Procrustes problem

  #98 opened 4 years ago by FanwangM
  6

• translation, scling, weighting for positive semi-definite Procrustes problem

  #172 opened 2 years ago by FanwangM
  2

• Deprecated `pinv2` function in `scipy.linalg`

  #174 opened 2 years ago by FanwangM
  2

• Add support of 1D, 2D and 3D molecular structures

  #167 opened 3 years ago by FanwangM
  3

• Web Site

  #147 opened 3 years ago by PaulWAyers
  2

• Description/keywords of the package

  #3 opened 3 years ago by FanwangM
  5

• An alternative way of solving rotational Procrutes problem

  #143 opened 3 years ago by FanwangM
  4

• Installing with pip according to instructions does not work

  #116 opened 3 years ago by geloescht
  5

• Non square data in softassign function - cannot reshape array

  #120 opened 3 years ago by yg42
  4

• Molecular Structure Distance

  #119 opened 3 years ago by PaulWAyers
  1

• Can't install from pip

  #109 opened 4 years ago by JOST777
  3

• Support of missing values for generalized Procrustes analysis

  #110 opened 4 years ago by FanwangM
  0

• Tutorial Examples

  #26 opened 4 years ago by FarnazH
  8

• Update and polish the sphinx docs

  #54 opened 4 years ago by FanwangM
  4

• lapack_driver argument

  #78 opened 4 years ago by FarnazH
  1

• Protein alignment with IOData

  #47 opened 4 years ago by FanwangM
  2

• Optimization over doubly-stochastic matrices

  #80 opened 4 years ago by PaulWAyers
  0

• Test error in "SVD Converge" in generic.py

  #69 opened 4 years ago by Ali-Tehrani
  10

• Improve efficiency of kopt implementation

  #65 opened 4 years ago by FarnazH
  1

• An Eigenvalue-Based Method for the Unbalanced Orhtogonal Procrustes Problem

  #32 opened 4 years ago by FanwangM
  1

• Finalize ProcrustesResult argument names & default values

  #25 opened 4 years ago by FarnazH
  1

• Clarify weight argument

  #42 opened 4 years ago by FarnazH
  0

• Change argument names

  #30 opened 4 years ago by FarnazH
  1

• General 2-sided Procrustes Problem

  #50 opened 4 years ago by PaulWAyers
  1

• More efficient evaluation of the error function for k-opt

  #79 opened 4 years ago by PaulWAyers
  1

• Add References to Docstrings

  #71 opened 4 years ago by FarnazH
  0

• Fix Binder

  #44 opened 4 years ago by FarnazH
  0

• PyPI

  #24 opened 4 years ago by FarnazH
  0

• Protein alignement notebook

  #31 opened 4 years ago by FarnazH
  2

• kopt_heuristic

  #41 opened 4 years ago by FarnazH
  1

• transform_mode for permutation_2sided is different than documented

  #23 opened 4 years ago by wilhadams
  2

• Fix documentation, jupyter notebooks and dosctrings with respect of the changes of return object

  #21 opened 4 years ago by FanwangM
  0

• Jupyter notebooks for all the tutorial examples

  #4 opened 5 years ago by FanwangM
  0