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scikit-learn-contrib
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scikit-matter
A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
https://scikit-matter.readthedocs.io/en/v0.2.0/
BSD 3-Clause "New" or "Revised" License
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Set up a doc formatter
#182
agoscinski
opened
1 year ago
0
WHO dataset missing function call section in doc
#181
agoscinski
closed
1 year ago
1
Give contributors more visibility
#180
agoscinski
closed
1 year ago
1
Cleanup rst files
#179
PicoCentauri
closed
1 year ago
6
Add flake8-bugbear and flake8-sphinx-links
#178
PicoCentauri
closed
1 year ago
0
What should be number of characters/line
#177
PicoCentauri
closed
1 year ago
2
Update README.md
#176
PicoCentauri
closed
1 year ago
0
PCovR-WHODataset takes super long to compute
#175
PicoCentauri
closed
1 year ago
3
Tests are running slow
#174
PicoCentauri
closed
1 year ago
2
Create a CONDA forge recipe
#173
PicoCentauri
closed
1 year ago
3
Modernize package infrastructure
#172
PicoCentauri
closed
1 year ago
7
Add an example of GCH for molecular materials
#171
ceriottm
closed
1 year ago
11
Port examples to sphinx_gallery
#170
PicoCentauri
closed
1 year ago
16
Interactive example of the 3d directional convex hull using chemiscope widget
#169
agoscinski
closed
1 year ago
1
Release version 0.1.4
#168
agoscinski
closed
1 year ago
0
Move notebooks to sphinx gallery python scripts
#167
agoscinski
closed
1 year ago
0
Remove print used for debugging
#166
agoscinski
closed
1 year ago
0
Fixing negative distances for fitted points with the DirectionalConvexHull
#165
agoscinski
closed
1 year ago
0
From docs it is not super clear that sample selection works analogously to feature selection
#164
agoscinski
opened
1 year ago
2
Fix issues with documentation
#163
victorprincipe
closed
1 year ago
0
Negative distances for fitted points with the DirectionalConvexHull
#162
agoscinski
closed
1 year ago
1
Render math without `# noqa: W605 comment`
#161
PicoCentauri
closed
1 year ago
0
Added warning for pcovr centering
#159
rosecers
closed
1 year ago
2
Adding bibliography
#158
rosecers
closed
1 year ago
4
Update README.md
#157
victorprincipe
closed
1 year ago
0
Moving the paper-ore branch to a fork or another repo
#156
agoscinski
closed
1 year ago
2
PCovR is not centering like PCA
#155
agoscinski
closed
1 year ago
3
Added deprecation warning to README and init file
#154
victorprincipe
closed
1 year ago
0
Fix indentation errors in tests
#153
victorprincipe
closed
1 year ago
0
Changed python version to 3.8 for ReadTheDocs
#152
victorprincipe
closed
1 year ago
0
Refactor to scikit-matter
#151
agoscinski
closed
1 year ago
2
Add descripton of the chemical properties CSD-1000 dataset
#150
agoscinski
opened
1 year ago
0
Adding a publically-available example for the who dataset
#149
rosecers
closed
1 year ago
10
Fix requirements syntax
#148
Luthaf
closed
1 year ago
0
Redesign of DCH to separate interpolator and hull algorithm
#147
agoscinski
closed
1 year ago
1
Remove python 3.7 support from tests
#146
agoscinski
closed
1 year ago
1
FPS should take a numpy array of ints as an initialize parameter
#145
rosecers
opened
1 year ago
0
Fix all of the #noqa in the documentation for FRM and friends, including RidgeRegresion2FoldCV
#144
rosecers
closed
1 year ago
2
Adding nice dataset
#143
spozdn
closed
1 year ago
0
Edits to the documentation from COSMO Retreat
#142
rosecers
closed
1 year ago
1
Fix example in `StandardFlexibleScaler` class
#141
PicoCentauri
closed
1 year ago
0
Added GCH functionality.
#140
victorprincipe
closed
1 year ago
7
Drop python 3.6 in CI and add 3.10
#139
Luthaf
closed
1 year ago
0
Actually use the copy parameter in StandardFlexibleScaler
#138
Luthaf
closed
2 years ago
3
Allow selectors to select all available points
#137
Luthaf
closed
2 years ago
0
Precomputed y pcovr
#136
rosecers
closed
1 year ago
6
Replaced lambda statement to allow saving of GreedySelector using pic…
#135
victorprincipe
closed
2 years ago
0
Some tests seems to run multiple times
#134
Luthaf
closed
1 year ago
1
Moving iterative parameter to a parameter to allow for a version of …
#133
rosecers
closed
2 years ago
0
Fix docs
#132
rosecers
closed
2 years ago
0
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