DeltaGroupNJUPT Vina-GPU-2.1 issues

DeltaGroupNJUPT / Vina-GPU-2.1

Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening

Apache License 2.0

42 stars 12 forks source link

issues

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Typo fixes

#38 aaronegolden opened 6 days ago
0
How to build it on windows

#37 neru1234 opened 1 week ago
0
Remove use of boost/filesystem/convenience.hpp so Vina can be built with boost 1.85.0

#36 aaronegolden opened 1 week ago
0
Is OpenCL 2.2 supported?

#35 giocoal opened 3 weeks ago
0
'Err-4:CL_MEM_OBJECT_ALLOCATION_FAILURE' When test D-LARGE format with AutoDock-Vina-GPU-2.1

#34 marramWang opened 3 weeks ago
5
FR: Support for --maps arguments as in non-GPU AutoDock Vina

#33 aaronegolden opened 3 weeks ago
0
-DLARGE_BOX running error

#32 BaldinSM opened 4 weeks ago
1
QuickVina-W blind docking supported?

#31 daheym opened 4 weeks ago
1
Unable to compile

#30 tyop-bot opened 1 month ago
4
QuickVina-W-GPU-2-1 run test Error

#29 wsatbluesky closed 1 month ago
1
about add hydrogen？

#28 yanbosmu opened 1 month ago
0
Error while testing the example file using Vina-GPU-2.1

#27 Tuleshwori opened 1 month ago
18
Can Vina-GPU-2.1 running on multiple GPUs?

#26 Dr-Yi-Li opened 1 month ago
3
"Cannot find any NVIDIA platform" error

#25 uniquelemon opened 2 months ago
0
fatal error: parse_pdbqt.h: No such file or directory

#24 Evert-Homan opened 2 months ago
9
Assertion Error

#23 ZeaMays14142 opened 2 months ago
9
Installing on Windows

#22 pamochi opened 3 months ago
0
Macrocycles docking

#21 MichalTaube opened 3 months ago
0
installation issue

#20 pnakliang opened 4 months ago
1
Inquiry about adding Boron atom parameters in Vina-GPU-2.1

#19 rajeshk94 opened 5 months ago
0
SegFault on Linux when compiling kernels

#18 vnica2 opened 6 months ago
2
Err-6:CL_OUT_OF_HOST_MEMORY when running QuickVina-W-GPU.

#17 yanbosmu opened 6 months ago
3
Flexible residues, --flex option, for flexible side chains?

#16 StephanWatkins opened 6 months ago
0
Arguments: Vinardo scoring function, Exhaustiveness, Spacing?

#15 HaleHasdemir opened 6 months ago
0
Repo Fixes

#14 jobs-git opened 6 months ago
0
Errors when following examples in README

#13 zhouxiangxin1998 opened 7 months ago
1
Can you make python library to run in vscode?

#12 BuiQuocDung1991 opened 7 months ago
0
why Default box size is only can be set at 30*30*30 ?

#11 vaghasiyautsav opened 7 months ago
0
top_hits.py to Analyse AutoDock-Vina-GPU results to screen ligand library.

#10 vaghasiyautsav opened 7 months ago
0
Problem during run example after successfully making source in Linux

#9 ghost closed 7 months ago
2
Analysis of the Results. How to identifying top hits ?

#8 vaghasiyautsav closed 7 months ago
1
Segemantaion Fault (core dumped)

#7 vaghasiyautsav closed 7 months ago
3
Searching Box Size

#6 vaghasiyautsav closed 7 months ago
1
Question with segmentation fault

#5 1339283605 closed 7 months ago
3
Inquiry about Adding Parameters for Metal Atoms in Vina-GPU-2.1

#4 Neuron-Cell opened 7 months ago
2
OpenCL Build kernel 1 from sourceError

#3 biogeeker closed 7 months ago
9
Question about AutoDock Vina version supported

#2 vincrichard closed 7 months ago
3
Sweet!

#1 Pixelatory closed 8 months ago
2