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Becksteinlab
/
propkatraj
pKa estimates for proteins using an ensemble approach
https://becksteinlab.github.io/propkatraj/
GNU General Public License v2.0
25
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7
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Switch no filename test
#73
IAlibay
closed
2 months ago
1
Tests fail for MDAKit registry check
#72
orbeckst
closed
2 months ago
2
install propkatraj for doc building
#71
orbeckst
closed
5 months ago
1
update CI matrix
#70
orbeckst
closed
5 months ago
4
Python 3.9 CI failing due to MDAnalysis develop supporting different py than stable
#69
orbeckst
closed
5 months ago
0
[WIP] unpin propka to 3.1+
#68
IAlibay
opened
9 months ago
0
fix docs deployment
#67
IAlibay
closed
5 months ago
1
Docs no longer deploy properly
#66
IAlibay
closed
5 months ago
2
Update for versioningit and stuff
#65
IAlibay
closed
9 months ago
6
AttributeError: module 'propkatraj' has no attribute 'get_propka'
#64
evelyne-deplazes
closed
11 months ago
2
Removing Python 3.8 from CI
#63
ianmkenney
closed
1 year ago
1
sphinx docs fail to build with `python setup.py build_sphinx`
#62
orbeckst
closed
5 months ago
1
Make python support 3.9+
#61
IAlibay
closed
5 months ago
3
do not run codecov for cron CI
#60
orbeckst
closed
1 year ago
9
remove CRON CI codecov
#59
orbeckst
closed
1 year ago
0
Add extra files to manifest
#58
IAlibay
closed
1 year ago
2
Fix for packaging
#57
IAlibay
closed
1 year ago
1
try to fix sphinx rendering
#56
IAlibay
closed
1 year ago
5
api doc formatting of argument lists messed up
#55
orbeckst
closed
1 year ago
4
Add codecov token
#54
IAlibay
closed
1 year ago
1
use CODECOV_TOKEN
#53
orbeckst
closed
1 year ago
0
Docs and powered by MDA badges
#52
ianmkenney
closed
1 year ago
3
License set to gplv2+
#51
ianmkenney
closed
1 year ago
1
v2.0.0
#50
ianmkenney
closed
1 year ago
1
Retire dev branch
#49
ianmkenney
closed
1 year ago
1
Fix license
#48
IAlibay
closed
1 year ago
3
change badges to point to main
#47
orbeckst
closed
1 year ago
4
Ignore vendored files in coverage
#46
IAlibay
closed
1 year ago
3
add doc badge to README
#45
orbeckst
closed
1 year ago
0
only use one "main" branch
#44
orbeckst
closed
1 year ago
2
conda-forge package
#43
ianmkenney
opened
1 year ago
1
Add propka 3.4 support
#42
ianmkenney
closed
1 year ago
2
add new pypi maintainers
#41
orbeckst
closed
1 year ago
2
Set up proper documentation with Sphinx
#40
ianmkenney
closed
1 year ago
6
Fix coveragerc to not try to cover things that we don't need to check
#39
IAlibay
closed
1 year ago
1
Upgrade documentation
#38
ianmkenney
closed
1 year ago
1
2.0.0 release
#37
ianmkenney
closed
1 year ago
8
Added compatibility with MDAnalysis 2.4
#36
ianmkenney
closed
1 year ago
14
Added compatibility with MDAnalysis 2.4
#35
ianmkenney
closed
1 year ago
1
Reformat for MDAnalysis 2.0
#34
IAlibay
closed
1 year ago
1
Add powered by MDAnalysis badge
#33
IAlibay
closed
1 year ago
1
Latest propka no compatible with MDA < 1.0: AttributeError: 'PropkaTraj' object has no attribute 'times'
#32
WillPPK
closed
1 year ago
7
Be stricter on the protein residue check
#31
IAlibay
opened
4 years ago
1
remove deprecated functionality
#30
orbeckst
closed
1 year ago
1
release 1.1
#29
orbeckst
closed
4 years ago
2
notebook docs: typos + nbviewer issues
#28
IAlibay
closed
4 years ago
1
doc notebook does not display in nbviewer
#27
orbeckst
closed
4 years ago
1
Creates AnalysisBase function PropkaTraj
#26
IAlibay
closed
4 years ago
3
Add tests for bad frames
#25
IAlibay
closed
4 years ago
2
Comparison against standard propka call fails (HETATM issue)
#24
IAlibay
opened
4 years ago
1
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