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MDAnalysis
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pmda
Parallel algorithms for MDAnalysis
https://www.mdanalysis.org/pmda/
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test custom with scheduler fixture
#61
kain88-de
closed
6 years ago
8
A parallel version of InterRDF_s
#60
VOD555
closed
6 years ago
0
release 0.2 before Workshop
#59
orbeckst
closed
5 years ago
17
Stacking results fails with odd number of frames
#58
mimischi
closed
6 years ago
5
Convenient test for different schedulers
#57
kain88-de
closed
6 years ago
3
Allow different parallelization schemes/frameworks
#56
kain88-de
opened
6 years ago
1
replace res with two kinds of output, accumulator and timeseries
#55
VOD555
closed
6 years ago
15
more doc fixes
#54
orbeckst
closed
6 years ago
1
sphinx docs for RDF
#53
orbeckst
closed
6 years ago
1
added attr_lock to parallelanalysisbase
#52
richardjgowers
closed
6 years ago
7
add timing for _conclude and _prepare
#51
VOD555
closed
6 years ago
1
#49 add timing for _conclude and _prepare
#50
VOD555
closed
6 years ago
2
add timing for _conclude and _prepare
#49
orbeckst
closed
6 years ago
0
replace unsupported `get` keyword with `scheduler`
#48
orbeckst
closed
6 years ago
5
parallel LeafletFinder
#47
orbeckst
closed
6 years ago
4
#41 parallelize analysis.rdf
#46
VOD555
closed
6 years ago
18
parallel dihedral featurizer
#45
orbeckst
opened
6 years ago
0
fails with ChainReader trajectory
#44
orbeckst
opened
6 years ago
2
include code in package
#43
orbeckst
closed
6 years ago
2
pip installation not working
#42
kain88-de
closed
6 years ago
5
parallelize analysis.rdf
#41
orbeckst
closed
6 years ago
0
long description does not render in reST on pypi
#40
orbeckst
closed
6 years ago
5
Doc restructure
#39
orbeckst
closed
6 years ago
1
docs and setup.py updates
#38
orbeckst
closed
6 years ago
2
bump mdanalysis requirement to 0.18.0
#37
kain88-de
closed
6 years ago
2
use versioneer for versioning
#36
orbeckst
closed
6 years ago
9
use versioneer
#35
orbeckst
closed
6 years ago
0
create sitemap.xml
#34
orbeckst
closed
6 years ago
1
use stable release of mdanalysis for testing
#33
kain88-de
closed
6 years ago
1
create a 0.1.0 release
#32
orbeckst
closed
6 years ago
7
Issue 30 fix distributed tests
#31
orbeckst
closed
6 years ago
3
tests with dask.distributed fail
#30
orbeckst
closed
6 years ago
0
Add AnalysisFromFunction class
#29
kain88-de
closed
6 years ago
6
RMSD: added keyword superposition
#28
orbeckstASU
closed
6 years ago
21
doc update
#27
orbeckst
closed
6 years ago
1
Parallel implementation not leveraging the lightweight serializations/de-serializations of MDA
#26
mnmelo
opened
7 years ago
6
rms.RMSD should be able to superimpose
#25
orbeckst
closed
6 years ago
0
test from rms.RMSD
#24
orbeckst
closed
6 years ago
4
fixed @mkhoshle's name in docs
#23
orbeckst
closed
7 years ago
3
add code coverage
#22
kain88-de
closed
7 years ago
5
fix travis failure if docs did not change
#21
orbeckst
closed
7 years ago
0
test for python 3 versions
#20
kain88-de
closed
7 years ago
0
reset rmsd calculation in prepare
#19
kain88-de
closed
7 years ago
0
parallel analysis should check that atomgroups in initialize belong to the same universe
#18
kain88-de
opened
7 years ago
0
do not use dask if no scheduler is given and `n_jobs=1`
#17
kain88-de
closed
6 years ago
1
broken CI build when docs don't change
#16
kain88-de
closed
7 years ago
5
stop when using memory reader
#15
kain88-de
opened
7 years ago
0
add authors list
#14
kain88-de
closed
7 years ago
0
allow using updating atomgroups
#13
kain88-de
opened
7 years ago
3
add github contributor stuff
#12
kain88-de
closed
7 years ago
0
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