scikit-learn-contrib/scikit-matter

Issues

• https://scikit-matter.readthedocs.io/en/latest/references/clustering.html is broken

  #233 opened 25 days ago by rosecers
  0

• Remove optional ase dependency

  #231 opened 5 months ago by agoscinski
  2

• Feature Request: make selectors amenable to GPU processing

  #127 opened 3 years ago by rosecers
  6

• Add doctests / inline examples in API reference

  #90 opened 4 years ago by Luthaf
  3

• Rank-one updates and other potential performance gains for CUR

  #216 opened a year ago by agoscinski
  1

• Implementation of local prediction rigidity

  #191 opened a year ago by agoscinski
  2

• Switch to sphinx doctest to avoid implicit import problem

  #208 opened a year ago by agoscinski
  1

• Zero scores result in repeated selection and wrong scores at least for FPS

  #206 opened a year ago by agoscinski
  0

• Consistent validation

  #195 opened a year ago by rosecers
  2

• Small typo on PCovR documentation

  #193 opened 2 years ago by arthur-lin1027
  0

• WHO dataset missing function call section in doc

  #181 opened 2 years ago by agoscinski
  1

• Tests are running slow

  #174 opened 2 years ago by PicoCentauri
  2

• PCovR-WHODataset takes super long to compute

  #175 opened 2 years ago by PicoCentauri
  3

• Redesign of DCH to separate interpolator and hull algorithm

  #147 opened 2 years ago by agoscinski
  1

• Moving the paper-ore branch to a fork or another repo

  #156 opened 2 years ago by agoscinski
  2

• Some tests seems to run multiple times

  #134 opened 2 years ago by Luthaf
  1

• Add descripton of the chemical properties CSD-1000 dataset

  #150 opened 2 years ago by agoscinski
  0

• Re-organize tests into module sub-folders

  #106 opened 2 years ago by rosecers
  0

• Documentation needed for new developers in adding datasets

  #120 opened 2 years ago by rosecers
  1

• Output warning if using skcosmo without the proper sklearn version

  #115 opened 2 years ago by agoscinski
  2

• Check support for Librascal's structure manager object into a general PseudoPoint/SparsePoint kernel class

  #119 opened 2 years ago by agoscinski
  3

• What should be number of characters/line

  #177 opened 2 years ago by PicoCentauri
  2

• Interactive example of the 3d directional convex hull using chemiscope widget

  #169 opened 2 years ago by agoscinski
  1

• Negative distances for fitted points with the DirectionalConvexHull

  #162 opened 2 years ago by agoscinski
  1

• Still need a logo

  #187 opened 2 years ago by rosecers
  0

• Give contributors more visibility

  #180 opened 2 years ago by agoscinski
  1

• Move notebooks to sphinx gallery python scripts

  #167 opened 2 years ago by agoscinski
  0

• Set up a doc formatter

  #182 opened 2 years ago by agoscinski
  0

• PCovR is not centering like PCA

  #155 opened 2 years ago by agoscinski
  3

• Create a CONDA forge recipe

  #173 opened 2 years ago by PicoCentauri
  3

• Fix all of the #noqa in the documentation for FRM and friends, including RidgeRegresion2FoldCV

  #144 opened 2 years ago by rosecers
  2

• From docs it is not super clear that sample selection works analogously to feature selection

  #164 opened 2 years ago by agoscinski
  2

• FPS should take a numpy array of ints as an initialize parameter

  #145 opened 2 years ago by rosecers
  0

• GreedySelector can not be serialized with pickle

  #99 opened 2 years ago by Luthaf
  1

• Feature Request: batched approach to PCov based selectors.

  #130 opened 2 years ago by eae32
  1

• Same index is present multiple times in FPS output during sample selection

  #128 opened 2 years ago by Luthaf
  1

• Examples are broken on docs

  #126 opened 2 years ago by rosecers
  1

• Feature Request: KPCov based sample selection including more than one property in the construction of the modified Gram matrix

  #131 opened 2 years ago by eae32
  0

• Pre-fitted regressors with KPCovR

  #112 opened 3 years ago by bhelfrecht
  0

• Reconstruction measures break with Pandas

  #114 opened 4 years ago by m4ttr4ymond
  1

• correct pip install syntax

  #108 opened 4 years ago by sandipde
  3

• Setting PCovR regularization is unintuitive

  #81 opened 4 years ago by bhelfrecht
  1

• PCovR small singular values should be handled more consistently

  #83 opened 4 years ago by bhelfrecht
  1

• PCovR feature space treats singular values incorrectly

  #105 opened 4 years ago by bhelfrecht
  1

• Calculation of the PCovR covariance is incredibly expensive

  #107 opened 4 years ago by bhelfrecht
  1

• Update of SampleSelection.ipynb

  #102 opened 4 years ago by hurricane642
  1

• Work of test_kpcovr.py

  #100 opened 4 years ago by hurricane642
  1

• Tolerance in StandardFlexibleScaler should be relative

  #82 opened 4 years ago by Luthaf
  2

• Issue with loading the datasets in readthedocs

  #76 opened 4 years ago by rosecers
  4

• Examples notebook contain extraneous TOC

  #79 opened 4 years ago by Luthaf
  1