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Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
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Update FAQ in README.md for uni-dock
#38
caic99
closed
1 year ago
0
Working with macrocycles / G atoms
#37
miretchin
opened
1 year ago
2
Fix typo in logging
#36
lucifer1004
closed
1 year ago
0
Feature/multi sdf
#35
ysyecust
closed
1 year ago
0
Feature/multi sdf
#34
ysyecust
closed
1 year ago
0
Common bias support
#33
pkuyyj
opened
1 year ago
0
Error: could not open "" for reading.
#32
yanze039
opened
1 year ago
3
[BUG] wrong attributes
#31
yanze039
closed
12 months ago
0
Can't find mgltools properly
#30
yanze039
opened
1 year ago
1
add AD4 scoring function
#29
caic99
closed
6 months ago
2
Segmentation Fault - Core Dumped
#28
shimikiyoko
opened
1 year ago
3
Can't find `unidock_ad4` after compiling from sources by `cmake`
#27
yanze039
closed
6 months ago
3
cicd trigger in main
#26
YNYuan
closed
1 year ago
0
readd mypy
#25
YNYuan
closed
1 year ago
0
unidock_tools ci
#24
YNYuan
closed
1 year ago
0
Yanghe/ligand prepare
#23
UR-Free
closed
1 year ago
0
Hypnopump/rough edges
#22
hypnopump
closed
1 year ago
0
Uni-Dock seems unable to run on multiple GPUs
#21
yuanfeifuzzy
opened
1 year ago
3
support ligand structure based bias docking
#20
UR-Free
closed
1 year ago
1
unidock_tools support PDB-format protein file, support ligand file without hydrogen and 3D conf
#19
YNYuan
closed
1 year ago
0
Update docs for boost version requirement
#18
caic99
closed
1 year ago
0
Fix warning
#17
ysyecust
closed
1 year ago
0
remove obsolete debug info
#16
caic99
closed
1 year ago
0
how to use muti gpus or choice the gpu that i want to use?
#15
mapengsen
closed
1 year ago
1
Fail to run docking
#14
Venthaul
opened
1 year ago
1
CUDA Runtime Error when running Uni-Dock
#13
hotwa
opened
1 year ago
11
Unable to run unidock in WSL2
#12
XingyuLiao
opened
1 year ago
8
How to visualize
#11
subercui
opened
1 year ago
3
unexpected very negative affinity score
#10
gkxiao
closed
1 year ago
2
Unable to dock
#9
pissurlenkar
opened
1 year ago
6
Cannot dock molecules using `--gpu_batch`
#8
eereenah-fast
closed
1 year ago
3
An error occurred: basic_string::_M_replace_aux.
#7
Zehui7Zhou
closed
1 year ago
6
ERROR:Empty ligland list
#6
Ljs1016
closed
1 year ago
3
Same ligands, same protein PDBQTs - Only fast mode is working
#5
andreacarotti331
opened
1 year ago
9
Compatibility issues with rocky 8.5
#4
andreacarotti331
closed
1 year ago
7
Add license
#3
pkuyyj
closed
1 year ago
0
Create README in screening test
#2
pkuyyj
closed
1 year ago
0
Add screening test file from DUD-E dataset
#1
pkuyyj
closed
1 year ago
0
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