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ccsb-scripps
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AutoDock-GPU
AutoDock for GPUs and other accelerators
https://ccsb.scripps.edu/autodock
GNU General Public License v2.0
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Subject: Help with AutoDock-GPU installation – CUDA Verification Failed
#275
khandokaryogesh
opened
1 week ago
2
Resume the job
#274
sustech-cym
opened
1 month ago
2
maximizing CPU usage
#273
Alan-Abdallah
opened
1 month ago
1
Cuda is not available
#272
sustech-cym
closed
1 month ago
3
autodock gpu issue
#271
123TRAINTZ
closed
1 month ago
4
Automatically choose all available Cuda compute targets > 50
#270
atillack
closed
2 months ago
9
update prepare_gpf4.py/prepare_dpf4.py for Python 3.0 >
#269
amir-tagh
opened
2 months ago
2
Generate residue specific best coordinate files
#268
aaronegolden
closed
2 months ago
1
Fix typo
#267
aaronegolden
closed
2 months ago
1
How do I maximize my GPU use?
#266
IHurley725
closed
1 week ago
4
Energy interpretation of Autodock cpu output in dlg format
#265
srilekha1993
opened
5 months ago
1
local search method sw used in autodock gpu is similar to psw for autodock cpu?
#264
srilekha1993
opened
5 months ago
2
Error is displayed during analysis
#263
Binjingbiox
opened
5 months ago
1
AutoDock GPU Batch Docking Result Unreproducible
#262
BruciiZ
opened
5 months ago
5
Inconsistent number of resnames compared to ligands!
#261
sustech-cym
closed
5 months ago
1
void gpu_gradient_minAD
#260
Yuwei-Pan
opened
5 months ago
9
--output-cluster-poses option
#259
fedeserral
opened
6 months ago
6
Boron atoms in AD4.1_bound.dat
#258
serenafrancisco
closed
6 months ago
2
How to find the RMSD_of_probable_global_minimum from Ligand 1.dlg output
#257
srilekha1993
closed
6 months ago
8
Missing centre grid co-ordinates and size_x, size_y and size_z value in 140 complex dataset to apply for Autodock Vina
#256
srilekha1993
closed
6 months ago
5
Windows build and OpenCL/Cuda host code unification
#255
atillack
closed
2 months ago
3
Virtual screening with AutoDock GPU: universal map files
#254
BruciiZ
closed
5 months ago
5
How to Disable Desolvation Parameters in AutoDock Scoring Function during Docking?
#253
samdani1593
opened
8 months ago
3
Speeding up sum reductions in ADADELTA by using Tensor Cores
#252
L30nardoSV
opened
8 months ago
33
atom types: HS, NS, OS
#251
chaninpark0806
closed
5 months ago
1
Automatically dock entire directory contents
#250
atillack
closed
8 months ago
4
about the error
#249
c00jsw00
opened
10 months ago
1
Added output for grid map reading errors.
#248
atillack
closed
10 months ago
1
compilation on MacOS Sonoma with Intel CPU and GPU
#247
lassancejm
closed
10 months ago
2
How to get the docking result with various conformation.
#246
SejeongPark8354
closed
11 months ago
2
write-gpf.py file
#245
mirjr
closed
11 months ago
1
Output file for docking.
#244
vaghasiyautsav
opened
11 months ago
1
AutoDock-GPU Virtual Screening
#243
apaydinemre
closed
9 months ago
4
Is it good practice to remove bound proteins too?
#242
syedzayyan
opened
1 year ago
1
Problems with AutoDock-GPU compiled on a cluster
#241
xavgit
opened
1 year ago
2
Suggestions about the use AutoDock-GPU with NVIDIA A100 GPUs
#240
xavgit
opened
1 year ago
3
Seems OpenCL is faster than CUDA
#239
daylight-00
opened
1 year ago
5
Zero Affinities with GPU but not in Vina
#238
syedzayyan
closed
1 year ago
2
How to apply atom-atom potential to keep the distance between two atoms in a certain distance?
#237
tirear
closed
1 year ago
3
Autodock is not opening in my laptop.
#236
Caterine1234
opened
1 year ago
3
Different Default Save Path for dlg Files when Using RTX4090
#235
NiBoyang
closed
1 year ago
4
Problem about the preparation process before docking
#234
FeiLiuEM
opened
1 year ago
6
Increased maximum number of runs to 8192
#233
atillack
closed
10 months ago
2
Maximum number of --nruns
#232
Mishakolok
closed
7 months ago
5
autogrid4: FATAL ERROR: Sorry, I can't find or open AD4_parameters.dat
#231
amir-tagh
closed
1 year ago
7
Passing a batch file using -B and saving using -N
#229
mikelee-dev
opened
1 year ago
1
Interpreting results after using --flexres
#228
TheTrebuchet
opened
1 year ago
3
Unable to use batch Docking
#227
Anupam-5
opened
1 year ago
1
covalent docking free energy estimate
#226
agoliaei
closed
1 year ago
3
Relative path for dpf import and batch files
#225
atillack
closed
1 year ago
4
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