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BartBruininks
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mdvwhole
Density based object completion over PBC.
Apache License 2.0
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Scaling Artifact for Trajectory whole
#44
scichemcode
opened
5 months ago
2
Support mesh voxelization
#43
BartBruininks
opened
11 months ago
1
Triclinic/Cubic liftable molecule ends up broken
#42
BartBruininks
opened
1 year ago
8
Problem with hexamer
#41
mmidhun97
closed
1 year ago
2
associative segmentation does not guarantee molecules to be whole
#39
BartBruininks
closed
11 months ago
2
Implement mdvseg leaflet segmentation as segmenter
#38
BartBruininks
opened
1 year ago
0
How can I write cluster.npy?
#36
B3tty-x
closed
1 year ago
8
MDVWhole whole.get_voxel misbehaving
#35
BartBruininks
opened
2 years ago
1
Virtual sites are not included in the molecule whole (like cholesterol Martini)
#34
BartBruininks
closed
2 years ago
1
mol_whole order fixed
#33
BartBruininks
closed
2 years ago
0
changes mol whole com to cog so it works for virtual beads
#32
BartBruininks
closed
2 years ago
0
fixes arg parsing for associative so it does not require False
#31
BartBruininks
closed
2 years ago
0
Displace content of containers with the hull
#30
BartBruininks
closed
1 year ago
1
Mol whole (performance)
#29
BartBruininks
opened
2 years ago
0
adds a proper flag for associative whole
#28
BartBruininks
closed
2 years ago
0
rollback mol_whole optmization, due to unwanted artifacts
#27
BartBruininks
closed
2 years ago
1
allows for whole clusters
#26
BartBruininks
closed
2 years ago
0
Associative Whole (performance)
#25
BartBruininks
opened
2 years ago
3
Centering
#24
BartBruininks
opened
2 years ago
0
Make whole mol voxel
#23
BartBruininks
closed
2 years ago
0
removes plotting (dependencies) for testing
#22
BartBruininks
closed
2 years ago
0
0.0.5 has problems with particles at the boundaries.
#21
BartBruininks
closed
2 years ago
7
bump to 0.0.5
#20
BartBruininks
closed
2 years ago
0
add mol pbc make whole MDA based (8x slower)
#19
BartBruininks
closed
2 years ago
0
Pbc
#18
BartBruininks
closed
2 years ago
0
tries to reduce dependecies more
#17
BartBruininks
closed
2 years ago
0
tries to reduce dependecies
#16
BartBruininks
closed
2 years ago
0
Pack multiple segments as close together as possible
#15
BartBruininks
opened
2 years ago
0
Pack multiple segments as close together as possible
#14
BartBruininks
closed
2 years ago
0
Multi selection
#13
BartBruininks
closed
2 years ago
0
Support multiple selections per frame
#12
BartBruininks
closed
2 years ago
1
Use mdvoxelsegmentation to make individual leaflets whole.
#11
BartBruininks
closed
2 years ago
1
add a fixed requirements with tested and working dependencies
#10
BartBruininks
closed
2 years ago
0
removes unwanted files from repo
#9
BartBruininks
closed
2 years ago
0
PBC for non 90 degree angles malfunction
#8
BartBruininks
closed
2 years ago
1
example figure
#7
BartBruininks
closed
2 years ago
0
first pip version
#6
BartBruininks
closed
2 years ago
0
Adds dependencies and pip install
#5
BartBruininks
closed
2 years ago
0
removes gro file
#4
BartBruininks
closed
2 years ago
0
cleans up the file
#3
BartBruininks
closed
2 years ago
0
adds help
#2
BartBruininks
closed
2 years ago
0
first push
#1
BartBruininks
closed
2 years ago
0