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DeltaGroupNJUPT
/
Vina-GPU
A heterogeneous OpenCL implementation of AutoDock Vina
Apache License 2.0
83
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20
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Which version of Autodock vina cpu used by the Vina GPU(this repo)
#48
srilekha1993
opened
4 months ago
0
Vina-GPU runtime error: "./OpenCL/src/kernels/code_head.cpp Error: failed to open file"
#47
mengruts
opened
10 months ago
2
Error5 CL-OUT-OF-RESOURCES ?
#46
JonasLi-19
closed
10 months ago
1
HOW to set the center to be 'as the ligand center'?
#45
RJ-Li
closed
10 months ago
2
Assertion `m.atoms.size() < MAX_NUM_OF_ATOMS' failed.
#44
Ding-qh
opened
1 year ago
0
'Cannot find any NVIDIA platform' error in test run
#43
xy127
opened
1 year ago
2
Problem with installation
#42
salvatorecalderaro
closed
10 months ago
1
Multiple Ligand Docking does not work
#41
emacocucci
closed
10 months ago
1
Does Vina-GPU support Flexible Sidechain Docking?
#40
KSUN63
closed
10 months ago
1
The ligand of autodock vina molecular docking contains boron, which cannot be completed
#39
CCTVastu
opened
1 year ago
2
Vina-GPU run error
#38
syleck
opened
1 year ago
1
Multiple-ligand docking
#37
pnakliang
opened
1 year ago
5
run Vina-GPU.exe multiple times with the same example config.txt but get different Vina dock scores
#36
mathfirst
opened
1 year ago
1
Unable to compile: CL/opencl.h not found
#35
avinashkarkada
closed
1 year ago
1
Any parameters to reduce memory consumption in config.txt?
#34
JSLJ23
closed
11 months ago
2
fl rmsd_upper_bound(): Assertion `a.size() == b.size()` failed
#33
shazj99
closed
1 year ago
1
Assertion `m.num_other_pairs() == 0' failed when using --flex
#32
rfleiro
opened
1 year ago
2
Seg Fault ONLY when submitting with sbatch
#31
rfleiro
closed
1 year ago
1
Paramters to support docking with macrocycles
#30
JSLJ23
closed
1 year ago
2
Multiple ligands docking
#29
Draavos
closed
1 year ago
1
Need instruction about how to install dependencies on Linux system
#28
kopwei
opened
2 years ago
2
Err-6:CL_OUT_OF_HOST_MEMORY
#27
Golovin-Andrey
opened
2 years ago
2
Error in compilation
#26
JerryJohnsonLee
closed
2 years ago
6
m.atoms.size() < MAX_NUM_OF_ATOMS' failed
#25
glycodynamics
closed
2 years ago
1
error while loading shared libraries: libboost_program_options.so.1.79.0: cannot open shared object file: No such file or directory
#24
purnawanpp
closed
1 year ago
1
Choose which GPU to use in a multi-GPU system
#23
SamuelOjeda
closed
2 years ago
1
exhaustiveness and threads relations
#22
igor611
closed
2 years ago
3
How do you run Vina-GPU with multiple proteins at a time?
#21
papaSneetch
opened
2 years ago
1
Enhancement: scoring functions etc from smina
#20
flatstik
opened
2 years ago
1
Problem if boost and cuda toolkit is installed from repository using APT
#19
flatstik
opened
2 years ago
3
Implement GPU use for QuickVina2 and QuickVina-W
#18
flatstik
closed
1 year ago
1
Assertion `m.atoms.size() < MAX_NUM_OF_ATOMS' failed.
#17
davidyanglee
opened
2 years ago
2
Quick Clarifying Question about GPUs
#16
papaSneetch
closed
2 years ago
2
Err-30:CL_INVALID_VALUE
#15
naeemmrz
closed
2 years ago
5
30x30x30 grid box
#14
rousselene
opened
2 years ago
1
CL_INVALID_COMMAND_QUEUE in GUI
#13
muhammadammarzahid
opened
2 years ago
1
Segmentation fault issue
#12
Glinttsd
opened
2 years ago
10
Segmentation Fault
#11
greatlse
closed
2 years ago
3
Segmentation Fault (Probably just an OpenCL Issue)
#10
papaSneetch
closed
2 years ago
19
Unable to compile
#9
kimlabSchatterjee
opened
2 years ago
3
Segmentation Fault on Input File Example
#8
papaSneetch
closed
2 years ago
3
Precission is bad
#7
EmanuelD1989
closed
2 years ago
1
Unable to install BOOST library
#6
debanjansen48
closed
2 years ago
1
Segmentation fault (core dumped)
#5
ZeroDesigner
closed
2 years ago
14
file not found error
#4
bengeof
opened
2 years ago
4
Build kernels from sourceError: failed to open file
#3
tavolivos
closed
2 years ago
3
Could you please upload a docker-version to docker-hub? Appreciated!
#2
akaktower
opened
2 years ago
1
How to run vina-gpu on windows 10
#1
bioleo
closed
2 years ago
2