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MDAnalysis
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PathSimAnalysis
An MDAKit that calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff or Fréchet distances.
https://mdanalysis.org/PathSimAnalysis
GNU General Public License v2.0
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Remove x86_64 env build pin
#21
IAlibay
opened
1 month ago
0
[CI] Remove exclusion of MDAnalysis "latest" and Python 3.12 from test matrix
#20
IAlibay
opened
4 months ago
0
Fix CI
#19
IAlibay
closed
4 months ago
1
Python 3.9 CI failing
#18
orbeckst
closed
4 months ago
1
Support make doctest similar to MDAnalysis/mdanalysis
#17
PriyaDiswar
opened
6 months ago
0
Tie off the changelog for 1.1.0
#16
IAlibay
closed
8 months ago
1
New release
#15
IAlibay
closed
8 months ago
5
Add conda install instructions
#14
IAlibay
closed
8 months ago
2
Document conda installation path in docs
#13
IAlibay
closed
8 months ago
0
Update packaging & smaller fixes
#12
IAlibay
closed
8 months ago
3
Update package to be Py3.12 compatible
#11
IAlibay
closed
8 months ago
0
Conda Forge package
#10
IAlibay
closed
9 months ago
1
Py3.12 CI is broken
#8
IAlibay
closed
10 months ago
1
Update deploy.yaml for OIDC credentials
#7
IAlibay
closed
10 months ago
2
Version 1.0.1 patch release
#6
ianmkenney
closed
10 months ago
2
Updated CHANGELOG
#5
ianmkenney
closed
10 months ago
1
Fixed AUTHORS.md
#4
ianmkenney
closed
10 months ago
1
Automated deployment to PyPI on release
#3
ianmkenney
closed
11 months ago
5
Add GitHub pages docs
#2
ianmkenney
closed
11 months ago
1
Include docs build for pull requests
#1
ianmkenney
closed
11 months ago
1
psa.PSAnalysis code saves files and doesn't label trajectories in plots
#9
lilyminium
opened
4 years ago
3