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MDAnalysis
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mdaencore
Ensemble overlap comparison software for molecular data.
http://www.mdanalysis.org/mdaencore/
GNU General Public License v2.0
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Remove x86_64 env build pin
#69
IAlibay
closed
1 month ago
0
[CI] Remove exclusion of MDAnalysis "latest" and Python 3.12 from test matrix
#68
IAlibay
opened
4 months ago
0
numpy version not defined on wheel building
#67
IAlibay
opened
4 months ago
0
Update CI
#66
IAlibay
closed
4 months ago
3
CI fails for Python 3.9
#65
orbeckst
closed
4 months ago
1
encore.ces not running on multiple CPU cores
#64
des2037
closed
5 months ago
9
Add new osx-arm64 running to GH Action CI
#63
IAlibay
closed
7 months ago
2
[BUG] ```ClusterCollection``` object has no attribute ```metadata```
#62
HeetVekariya
opened
8 months ago
2
aarch64 and osx-arm64 wheels
#61
IAlibay
opened
8 months ago
5
Encore Windows type fix
#60
IAlibay
closed
8 months ago
2
Port windows long fix
#59
orbeckst
closed
8 months ago
0
Getting "TypeError: Topology argument required to make Universe" when clustering a universe from sliced trajectory
#58
leffetripel
opened
9 months ago
1
Update dependencies
#57
ianmkenney
closed
9 months ago
3
Missing dependencies in `pyproject.toml`
#56
ianmkenney
closed
9 months ago
0
Fixed testing dependencies in deploy.yaml
#55
ianmkenney
closed
10 months ago
3
Bump up the PyPi upload version
#54
IAlibay
closed
10 months ago
1
Switch to versioningit
#53
IAlibay
closed
10 months ago
3
release v1.0.0
#52
ianmkenney
closed
10 months ago
5
Updated docs README
#51
ianmkenney
closed
10 months ago
2
docs: resolve links into MDAnalysis API docs
#50
orbeckst
closed
10 months ago
1
Cleaning up API docs
#49
ianmkenney
closed
10 months ago
5
update maintainers
#48
orbeckst
closed
10 months ago
3
adding new ENCORE maintainers
#47
orbeckst
closed
10 months ago
0
update installation instructions in docs
#46
orbeckst
closed
10 months ago
2
Update deployment for OIDC
#45
IAlibay
closed
10 months ago
4
Updated CHANGELOG
#44
ianmkenney
closed
10 months ago
1
[DOCS] links to functions/classes are non-existent
#43
orbeckst
closed
10 months ago
1
docs are missing content from MDAnalysis.analysis.encore
#42
orbeckst
closed
10 months ago
0
update CHANGELOG for 0.1.0
#41
orbeckst
closed
10 months ago
2
Provide consistent PRNG across encore
#40
IAlibay
opened
1 year ago
1
Various documentation issues
#39
IAlibay
opened
1 year ago
0
Compiling docs points to the wrong package install
#25
IAlibay
closed
10 months ago
1
Move old encore issues here
#24
IAlibay
closed
1 year ago
0
Conda-forge release?
#23
IAlibay
closed
10 months ago
4
Add cibuildwheel deployment
#22
IAlibay
closed
1 year ago
5
Release v1.0.0
#21
ianmkenney
closed
9 months ago
6
Add cibuildwheels deployment
#20
IAlibay
closed
1 year ago
0
bump up docutils in docs builds
#19
IAlibay
closed
10 months ago
6
Fix deprecated intersphinx_mapping dictionary use
#18
IAlibay
closed
1 year ago
4
Pinning sphinxcontrib-bibtex to v2.5.0
#17
ianmkenney
closed
1 year ago
2
remember to unpin sphinxcontrib-bibtex
#16
ianmkenney
opened
1 year ago
4
Changed package install instructions for codecov?
#15
ianmkenney
closed
1 year ago
1
Removed fast-math compiler flag in setup.py
#14
ianmkenney
closed
1 year ago
1
Change bibliography to footbibliography
#13
lilyminium
closed
11 months ago
11
bibtex bibliography should be footbibliography
#12
lilyminium
closed
11 months ago
1
Fix the docs badge
#11
ianmkenney
closed
1 year ago
0
Unnecessary `data` package?
#10
ianmkenney
closed
1 year ago
1
Add ReadTheDocs
#9
lilyminium
closed
1 year ago
3
transfer encore documentation from MDAnalysis.analysis.encore to mdaencore
#8
orbeckst
closed
1 year ago
1
codecov badge shows 0%
#7
orbeckst
closed
1 year ago
0
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