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Issues list

implement graph-spectral features enhancement New feature or request
#71 opened May 9, 2022 by kjappelbaum
@kjappelbaum
perform better input validation
#35 opened Apr 24, 2022 by kjappelbaum
1
implement fit and fit_transform on energygrid enhancement New feature or request
#40 opened Apr 25, 2022 by kjappelbaum
refactor get_neighbors_at_distance enhancement New feature or request quality-of-life
#42 opened Apr 25, 2022 by kjappelbaum
implement site dataset dataset enhancement New feature or request
#52 opened May 6, 2022 by kjappelbaum
2
refactor RACs featurizer to site-based featurizer blocking enhancement New feature or request good first issue Good for newcomers
#55 opened May 8, 2022 by kjappelbaum v0.0.9
@kjappelbaum
how handle datasets that might not fit into memory enhancement New feature or request
#57 opened May 9, 2022 by kjappelbaum
1
add maintainer documentation on how to update datasets documentation Improvements or additions to documentation enhancement New feature or request
#58 opened May 9, 2022 by kjappelbaum v0.0.9
1
how do we handle fit_transform for featurize_many enhancement New feature or request question Further information is requested
#59 opened May 9, 2022 by kjappelbaum
perhaps run all reference structures through manage_crystal? enhancement New feature or request
#61 opened May 9, 2022 by kjappelbaum
add regression tests enhancement New feature or request
#64 opened May 9, 2022 by kjappelbaum
vectorize atom-centered PH using images and/or Gaussian mixtures enhancement New feature or request featurizers/persistent-homology help wanted Extra attention is needed
#65 opened May 9, 2022 by kjappelbaum
implement eigencages enhancement New feature or request
#28 opened Apr 22, 2022 by kjappelbaum
1
implement pore-centered PH featurizer enhancement New feature or request featurizers/persistent-homology
#70 opened May 9, 2022 by kjappelbaum
@kjappelbaum
2
implement diversity metrics enhancement New feature or request
#77 opened May 9, 2022 by kjappelbaum
1
expose cifs with charges enhancement New feature or request
#80 opened May 9, 2022 by kjappelbaum
add more datasets enhancement New feature or request
#83 opened May 10, 2022 by kjappelbaum
avoid that pyeqeq pollutes the output enhancement New feature or request help wanted Extra attention is needed quality-of-life
#85 opened May 10, 2022 by kjappelbaum
cache TDA calls enhancement New feature or request featurizers/persistent-homology help wanted Extra attention is needed
#89 opened May 10, 2022 by kjappelbaum
1
better leverage symmetry enhancement New feature or request
#90 opened May 10, 2022 by kjappelbaum
2
also implement fit_transform for PHImage enhancement New feature or request featurizers/persistent-homology
#91 opened May 10, 2022 by kjappelbaum
for persistent homology featurizers implement option to sample more points enhancement New feature or request
#92 opened May 10, 2022 by kjappelbaum
reduce duplicated code in TDA enhancement New feature or request featurizers/persistent-homology quality-of-life
#96 opened May 13, 2022 by kjappelbaum
make fit_transform available on all featurizers and MultipleFeaturizers blocking enhancement New feature or request
#100 opened May 19, 2022 by kjappelbaum
featurizer RACS() returns arrays containing NaNs
#457 opened Sep 29, 2023 by mehradans92
2
ProTip! Updated in the last three days: updated:>2025-03-01.