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marrink-lab
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MDVoxelSegmentation
A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
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Handling input and output in a nice manner
#81
BartBruininks
closed
4 years ago
1
Remove interdependent pickles
#80
BartBruininks
opened
4 years ago
0
Creating a nice autograph function for segments over time
#79
BartBruininks
closed
3 years ago
1
Writing a solid implementation of the set ordering
#78
BartBruininks
closed
4 years ago
1
Force clustering lipid selection is hard coded in leaflets.py
#77
BartBruininks
closed
4 years ago
1
Clustertest
#76
AlbertThie
closed
4 years ago
0
Example files
#75
BartBruininks
closed
4 years ago
0
Adds force-clustering correct implementation
#74
BartBruininks
closed
4 years ago
0
adds proper segmentation cutoff
#73
BartBruininks
closed
4 years ago
0
BUG in Force Clustering in the clutsering routine
#72
BartBruininks
closed
4 years ago
1
Alpha 0.1
#71
BartBruininks
closed
4 years ago
0
Readme Images
#70
BartBruininks
closed
4 years ago
1
Clustering of composition
#69
BartBruininks
opened
4 years ago
0
Center the trajectory based on (a) cluster(s)
#68
BartBruininks
opened
4 years ago
0
Make whole
#67
BartBruininks
closed
4 years ago
0
Adds hyper resolution and small improvements.
#66
BartBruininks
closed
5 years ago
0
Make hyper resolution possible by using a point cloud around data points instead of multiframe blurring.
#65
BartBruininks
closed
4 years ago
1
Check if smoothing over frames is working as intended.
#64
BartBruininks
closed
4 years ago
1
A crude implementation of multriprocessing. Highly experimental, but …
#63
BartBruininks
closed
5 years ago
0
add testfiles for settests
#62
AlbertThie
closed
5 years ago
0
Rewrite clustering overtime
#61
AlbertThie
closed
5 years ago
0
Adds multiframe smearing for gen_explicit_matrix and clustering and g…
#60
BartBruininks
closed
5 years ago
0
Test leaflets
#59
BartBruininks
closed
5 years ago
0
Adds test for the gencontour function for both inward and outward.
#58
BartBruininks
closed
5 years ago
0
Add test for gen_contour in test_clustering.py
#57
BartBruininks
closed
5 years ago
1
Output from multiframe clustering (in leaflets) should be written in an appending manner
#56
BartBruininks
opened
5 years ago
0
Writing tests for leaflet finder
#55
BartBruininks
closed
5 years ago
0
Residue mix up in final output of leaflet clustering
#54
BartBruininks
closed
5 years ago
1
Updates the yaml dependency in dev
#53
BartBruininks
closed
5 years ago
0
Renames test.gro for better ordering and adjusts the test entries acc…
#52
BartBruininks
closed
5 years ago
0
Adds pytests in the testing folder for all clustering.py functions.
#51
BartBruininks
closed
5 years ago
0
Reorders the module and adds all things needed for install.
#50
BartBruininks
closed
5 years ago
0
Cleaning up leaflet and clustering.py also moved the backmapping to c…
#49
BartBruininks
closed
5 years ago
0
Improvements for example
#48
BartBruininks
closed
5 years ago
0
Fix create order
#47
AlbertThie
closed
5 years ago
0
Small setting change
#46
BartBruininks
closed
5 years ago
0
fix bugs in merging code
#45
AlbertThie
closed
5 years ago
0
Improved settest but broken remerge sets?
#44
BartBruininks
closed
5 years ago
0
Leaflets2.0
#43
BartBruininks
closed
5 years ago
0
Fixes some merge bugs in leaflets.
#42
BartBruininks
closed
5 years ago
0
Set clustering
#41
BartBruininks
closed
5 years ago
0
Adds inclusion of the second contour layer for more consistent residu…
#40
BartBruininks
closed
5 years ago
0
Rearanges the (multiframe) clustering function to be multi process co…
#39
BartBruininks
closed
5 years ago
0
Changes the leaflets clustering input to atomgroup selections.
#38
BartBruininks
closed
5 years ago
0
Adds protein embeddded membrane leaflet clustering.
#37
BartBruininks
closed
5 years ago
0
Handling generic PBC
#36
BartBruininks
closed
4 years ago
1
PBC cubic
#35
BartBruininks
closed
5 years ago
1
Handling proteins in bilayers
#34
BartBruininks
closed
5 years ago
1
A first attempt of including leaflet clustering with embedded protein…
#33
BartBruininks
closed
5 years ago
0
Tests multiple leaflet clustering strategies and settles for version …
#32
BartBruininks
closed
5 years ago
0
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