Issues

• Mangga

  ccsb-scripps/AutoDock-GPU#324 · Filter by author 1511574vania-lgtm opened on Sep 18, 2026

• How to use it for Metal baised docking ?

  ccsb-scripps/AutoDock-GPU#323 · Filter by author saihaan007 opened on Sep 3, 2026

• Recommended receptor/GPF preparation workflow for AutoDock-GPU and difference in dielectric values generated by Meeko vs ADT

  ccsb-scripps/AutoDock-GPU#318 · Filter by author Degax opened on May 21, 2026
  3

• Compilation error on AMD RDNA 3 (gfx1101) - Incompatible pointer types in OpenCL kernel

  ccsb-scripps/AutoDock-GPU#316 · Filter by author nowayhome1256 opened on Apr 14, 2026
  3

  

• issue running AutodockFR

  ccsb-scripps/AutoDock-GPU#314 · Filter by author Halbrax opened on Jan 22, 2026
  1

• covalent docking using autodock gpu

  ccsb-scripps/AutoDock-GPU#313 · Filter by author ranbir-spec opened on Dec 15, 2025

• How to consider nonpolar hydrogen and how to understand the final binding energy?

  ccsb-scripps/AutoDock-GPU#312 · Filter by author nobody764 opened on Nov 20, 2025
  2

• Compiling issue with cuda 13.0

  ccsb-scripps/AutoDock-GPU#311 · Filter by author sistar2020 opened on Oct 31, 2025

• Typo in XML files "torsonial" instead of "torsional"

  ccsb-scripps/AutoDock-GPU#310 · Filter by author Labhund opened on Aug 24, 2025
  1

  

• New 5070 5090 RTX GPUs

  ccsb-scripps/AutoDock-GPU#306 · Filter by author StephanWatkins opened on Jun 12, 2025
  3

  

• Add new atom type

  ccsb-scripps/AutoDock-GPU#304 · Filter by author bryancantero opened on May 3, 2025
  2

• GPU utilization for one of four CUDA devices drops to 0% occasionally during huge batch dockings

  ccsb-scripps/AutoDock-GPU#303 · Filter by author bmp192529 opened on Apr 24, 2025
  10

  

• Error: HETATM or ATOM line is too short. for ligand

  ccsb-scripps/AutoDock-GPU#302 · Filter by author biodecoder5 opened on Apr 18, 2025
  1

  

• The question of open .dlg in ADT

  ccsb-scripps/AutoDock-GPU#300 · Filter by author Degax opened on Mar 26, 2025
  7

• Huge difference between docking energy of autodock vina and autodock-gpu

  ccsb-scripps/AutoDock-GPU#297 · Filter by author Pooja20031 opened on Mar 8, 2025
  1

• Conversion from XML to DLG

  ccsb-scripps/AutoDock-GPU#294 · Filter by author MicheleRoggia opened on Feb 20, 2025
  4

  

• Question about different ranking produced by ADGPU and Vina used with vina and vinardo scoring function.

  ccsb-scripps/AutoDock-GPU#293 · Filter by author xavgit opened on Feb 15, 2025
  2

• Follow-Up: Segmentation Fault with MAX_NUM_OF_ATOMS=1024

  ccsb-scripps/AutoDock-GPU#292 · Filter by author hezhizhang-269 opened on Feb 13, 2025

• Installation Issue

  ccsb-scripps/AutoDock-GPU#290 · Filter by author dschemlab2025 opened on Jan 9, 2025
  1

• autodock-GPU how to set up in windows system.

  ccsb-scripps/AutoDock-GPU#289 · Filter by author necat61 opened on Jan 3, 2025
  9

• Using AutoDock GPU for large docking project

  ccsb-scripps/AutoDock-GPU#288 · Filter by author KirkDCO opened on Jan 1, 2025
  10

• Documentation?

  ccsb-scripps/AutoDock-GPU#287 · Filter by author KirkDCO opened on Dec 31, 2024
  1

• Preparation for Autodock GPU Docking

  ccsb-scripps/AutoDock-GPU#286 · Filter by author NexabioSolutions opened on Dec 30, 2024
  1

• buffer overflow detected

  ccsb-scripps/AutoDock-GPU#285 · Filter by author KirkDCO opened on Dec 29, 2024
  9

  

• Guidance on Modifying AutoDock-GPU for Docking Large Molecules

  ccsb-scripps/AutoDock-GPU#284 · Filter by author hezhizhang-269 opened on Dec 22, 2024
  3