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moldyn
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MoSAIC
Correlation-based feature selection of Molecular Dynamics simulations
https://moldyn.github.io/MoSAIC/
MIT License
25
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2
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Bump codecov/codecov-action from 4 to 5
#32
dependabot[bot]
closed
1 week ago
0
Bump actions/checkout from 3 to 4
#31
dependabot[bot]
closed
2 months ago
0
Bump github/codeql-action from 2 to 3
#30
dependabot[bot]
closed
2 months ago
0
Add numpy>=2 support
#29
braniii
opened
2 months ago
1
matplotlib artist error in CI plotting
#28
mmfarrugia
opened
2 months ago
6
Add privacy and social plugins to mkdocs.
#27
braniii
closed
10 months ago
1
Test for py3.12 support.
#26
braniii
opened
1 year ago
2
Add textual TUI.
#25
braniii
closed
1 year ago
1
Fix minor issues in doc
#24
braniii
closed
1 year ago
0
mention tutorials on README.md
#23
gegabo
closed
1 year ago
1
Value error: keyword grid_b is not recognized
#22
gegabo
closed
1 year ago
1
"ValueError: Correlation matrix is not symmetric. This should not occur and is probably caused by an overflow error or too low dtype precision."
#21
austinweigle
closed
1 year ago
5
Moving to MkDocs with revised docstrings & removing UMAP
#20
gegabo
closed
1 year ago
1
Move to mkdocs
#19
braniii
closed
1 year ago
2
Update README.md
#18
gegabo
closed
1 year ago
0
Tutorial t4l
#17
gegabo
closed
1 year ago
0
Test against Python 3.11
#16
braniii
closed
1 year ago
2
Update README.md
#15
gegabo
closed
2 years ago
0
Use open to fix bug with numpy 1.23+
#14
braniii
closed
2 years ago
1
[bug] load_clusters is broken on numpy v1.23.x+
#13
braniii
closed
2 years ago
0
Update gridsearch.py
#12
gegabo
closed
2 years ago
1
[bug] missing dependency `decorit`
#11
braniii
closed
2 years ago
0
Improve dtype handling
#10
braniii
closed
2 years ago
0
similarity fit overflow
#9
EleSpine
closed
2 years ago
3
Update README.md
#8
gegabo
closed
2 years ago
0
Update similarity.py
#7
gegabo
closed
2 years ago
1
update readme and changelog for new version.
#6
braniii
closed
2 years ago
0
Cv scoring
#5
braniii
closed
2 years ago
1
publish package to PyPi
#4
braniii
closed
2 years ago
1
Implement silhouette optimization
#3
braniii
closed
2 years ago
1
Cuthill McKee not deterministic
#2
gegabo
closed
3 years ago
3
default value for resolution_parameter for CPM clustering
#1
gegabo
closed
2 years ago
1