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dptech-corp
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Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
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Build: update conda build script for CUDA 12 and uni-dock subfolder
#90
caic99
closed
6 months ago
0
How to get score when run unidock tooks?
#89
smilenaderi
opened
7 months ago
4
MCDock Run Rigid Docking with Incorrect Input SDF Files
#88
dp-yuanyn
closed
7 months ago
0
fix:mcdock rigid docking; test:remove mcdock rmsd assert
#87
dp-yuanyn
closed
7 months ago
0
Fix: array index out of range
#86
caic99
closed
7 months ago
0
Potential array index out of range.
#85
wzf03
closed
7 months ago
1
Feature Request: Separate ./unidock and ./unidock_tools as 2 repo
#84
RuikangSun
closed
7 months ago
1
Test: use public image for testing unidock_tools
#83
caic99
closed
7 months ago
0
Internal error occurred while running Uni-Dock using ad4 scoring function
#82
dp-yuanyn
closed
7 months ago
1
Format code and remove unused code
#81
ysyecust
closed
7 months ago
2
Refactor CMakeLists.txt
#80
wzf03
closed
7 months ago
0
fix: mcdock write same conf in confgen stage
#79
dp-yuanyn
closed
7 months ago
0
Update MAX_NUM_OF_RIGID_ values in SmallConfig, MediumConfig, and Lar…
#78
ysyecust
closed
7 months ago
0
v1.1
#77
caic99
closed
7 months ago
0
Feature/template mode
#76
ysyecust
closed
7 months ago
0
[Feature Request] Native Support for PDB Format Proteins as Receptor Input
#75
zhengh96
opened
7 months ago
0
Update CI workflows
#74
caic99
closed
7 months ago
0
Update Dockerfiles
#73
caic99
closed
7 months ago
0
[paired_batch_size] Write score
#72
envidian
closed
7 months ago
1
[GPU setting] device id
#71
envidian
closed
8 months ago
1
Add GPU model support policy
#70
caic99
closed
8 months ago
0
SDF files fail to run using Ligand Index
#69
xavierchee
opened
8 months ago
7
Docs: Add Uni-Dock logo
#68
caic99
closed
8 months ago
0
Uni-Dock hangs forever on NVIDIA T4 GPU
#67
dp-yuanyn
closed
7 months ago
3
fix ut
#66
dp-yuanyn
closed
8 months ago
0
[doc] Update Uni-Dock LOGO
#65
zhengh96
closed
8 months ago
0
Feature/hbond
#64
ysyecust
closed
8 months ago
0
CUDA stream optimisation
#63
envidian
closed
8 months ago
3
Please specify what the maximum number of ligand torsions is in the documentation.
#60
jpmfc6
closed
9 months ago
1
Unidock seems to be not progressing.
#59
majumderS
opened
9 months ago
4
Update build_torsion_tree.py
#58
Hong-Rui
closed
9 months ago
1
Save scoring components as SD data
#57
gkxiao
opened
9 months ago
0
Warp parallel
#56
lucifer1004
closed
9 months ago
0
CUDA Stream optimisations for 1:1 ligand docking
#55
envidian
closed
9 months ago
2
CUDA error - not sure of solution
#54
JGBurgess1
opened
11 months ago
3
Could Uni-Dock parse an SDF ligand file containing multiple ligands?
#53
xavierchee
opened
11 months ago
1
Update README.md
#52
baixiaokuang
closed
11 months ago
0
License
#51
RaulFD-creator
closed
11 months ago
2
can
#50
zengdashi
closed
11 months ago
2
Minor fix for logical AND
#49
prabindh
closed
11 months ago
0
fix ligand_index option bug
#48
UR-Free
closed
12 months ago
0
docs: update installing instructions
#47
caic99
closed
12 months ago
0
Style/formatcode
#46
ysyecust
closed
12 months ago
0
Style/clang format
#45
ysyecust
closed
1 year ago
0
Could ligand preparation be accelerated, e.g. using multiprocessing, when drug library is huge?
#44
yanze039
opened
1 year ago
1
sync torsion tree update from nashtools
#43
Hong-Rui
closed
1 year ago
0
installation
#42
dinu09
closed
12 months ago
9
Version still marked as 0.1.0 in the 1.0.0 release
#41
james-vincent
closed
6 months ago
1
Sources not included in release source downloads
#40
james-vincent
opened
1 year ago
0
Request for Detailed Explanation on Biased Docking
#39
rkakamilan
opened
1 year ago
0
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