issues
search
dptech-corp
/
Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
188
stars
40
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Cuda error 700
#141
VidyalakshmiCM
opened
2 weeks ago
0
Batch mode on command line
#140
VidyalakshmiCM
opened
3 weeks ago
0
v1.1.2 randomly changes its output without any valid cause
#139
YuichiMotai
opened
1 month ago
4
Segmentation Fault (Core Dumped)
#138
stepha86
opened
2 months ago
0
Optimize CUDA codes in `precalculate.cu`
#137
kongexp
closed
1 month ago
0
Cuda runtime error =
#136
davide-grheco
opened
3 months ago
0
Bump docker/build-push-action from 5 to 6
#135
dependabot[bot]
closed
3 months ago
0
Enhance run info
#134
lucifer1004
closed
3 months ago
0
Seed doesn't seem to be working properly.
#133
matija-marijan
opened
4 months ago
3
fix: add kernel type info
#132
ysyecust
closed
4 months ago
0
feat:support bias
#131
dp-yuanyn
closed
4 months ago
0
in ligand index, unable to find mol file, only first without others.
#130
songyu2022
closed
4 months ago
1
Unknown order of ligands in the output
#129
zas97
opened
5 months ago
2
build: change docker build runner from github to self
#128
dp-yuanyn
closed
5 months ago
0
fix: unidock pipeline ligand index list too long err
#127
dp-yuanyn
closed
5 months ago
0
target_compile_features no known features for CXX compiler
#126
AquifersBSIM
closed
5 months ago
6
feat: update ligand group method
#125
ysyecust
closed
5 months ago
0
Unidock pipeline fails to read ligand index
#124
davide-grheco
closed
5 months ago
1
test: readd ad4 tests
#122
dp-yuanyn
closed
5 months ago
0
fix: env readd mgltools and remove tests using ad4 temporary
#121
dp-yuanyn
closed
5 months ago
0
Fix uninitialized f0 and re-enable sm75/sm86/sm89
#120
lucifer1004
opened
5 months ago
2
[feature] unidock tools add required dependencies
#119
Hong-Rui
closed
5 months ago
1
Fail on screening test case mmp13 on version v1.1.x
#118
platinhom
opened
5 months ago
2
new version for pdb2pdbqt
#117
zhangplpl
closed
1 month ago
1
fix:unidock pipeline one ligand failed case
#116
dp-yuanyn
closed
5 months ago
0
CUDA Runtime Error when using ad4 maps
#115
NiBoyang
opened
6 months ago
4
OOM using ad4 scoring function
#114
dp-yuanyn
opened
6 months ago
0
Feature/analyse pose
#113
ysyecust
closed
5 months ago
0
run unidock, report segmentation fault while using file index
#112
dp-yuanyn
opened
6 months ago
0
WARNING: Could not find any conformations
#111
bit-lcf
opened
6 months ago
0
build: add unidock_tools dependency in toml
#110
dp-yuanyn
closed
6 months ago
0
How to dock
#109
c-bt
closed
6 months ago
0
Fix path error in README.md
#108
ysyecust
closed
6 months ago
0
missing installation instruction in unidock_tools
#107
c-bt
closed
6 months ago
0
typo in examples
#106
c-bt
closed
6 months ago
1
Docs: add introduction to uni-dock benchmarks
#105
caic99
closed
6 months ago
0
Docs: fix typo in conda-forge instructions
#104
caic99
closed
6 months ago
0
Docs: add conda-forge install instructions
#103
caic99
closed
6 months ago
0
Error in vina score
#102
tom832
opened
6 months ago
2
Update version number in CMakeLists.txt
#101
ysyecust
closed
6 months ago
0
1.1.1 source release contains version string 1.1.0
#100
jjv5
closed
6 months ago
1
fix: ligandprep skip failed cases
#99
dp-yuanyn
closed
6 months ago
0
docs: remove unidock_ad4 in README
#98
dp-yuanyn
closed
6 months ago
0
Docs: add cuda toolkit requirement
#97
caic99
closed
6 months ago
0
fix: unidock_pipeline read only one ligand for big sdf
#96
dp-yuanyn
closed
6 months ago
0
Build: disable sm_90 arch for forward compatibility on CUDA 11.2
#95
caic99
closed
6 months ago
0
Compiling error on CUDA 11
#94
caic99
closed
6 months ago
0
cmake -B build -D FETCH_BOOST=ON does not fetch boost
#93
james-vincent
closed
6 months ago
6
doc: update unidock perf images
#92
dp-yuanyn
closed
6 months ago
0
feat: unidock_pipeline add support for score_only and local_only; doc: update unidock perf png
#91
dp-yuanyn
closed
6 months ago
0
Next