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covalent docking using autodock gpu

Status: Open.

#313 In ccsb-scripps/AutoDock-GPU;

· ranbir-spec opened on Dec 15, 2025

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

Status: Open.

#312 In ccsb-scripps/AutoDock-GPU;

· nobody764 opened on Nov 20, 2025

Compiling issue with cuda 13.0

Status: Open.

#311 In ccsb-scripps/AutoDock-GPU;

· sistar2020 opened on Oct 31, 2025

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

Status: Open.

#310 In ccsb-scripps/AutoDock-GPU;

· Labhund opened on Aug 24, 2025

gas

Status: Open.

#308 In ccsb-scripps/AutoDock-GPU;

· tmutsuki-ux opened on Jul 19, 2025

New 5070 5090 RTX GPUs

Status: Open.

#306 In ccsb-scripps/AutoDock-GPU;

· StephanWatkins opened on Jun 12, 2025

Add new atom type

Status: Open.

#304 In ccsb-scripps/AutoDock-GPU;

· bryancantero opened on May 3, 2025

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

Status: Open.

#303 In ccsb-scripps/AutoDock-GPU;

· bmp192529 opened on Apr 24, 2025

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

Status: Open.

#302 In ccsb-scripps/AutoDock-GPU;

· biodecoder5 opened on Apr 18, 2025

The question of open .dlg in ADT

Status: Open.

#300 In ccsb-scripps/AutoDock-GPU;

· Degax opened on Mar 26, 2025

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

Status: Open.

#297 In ccsb-scripps/AutoDock-GPU;

· Pooja20031 opened on Mar 8, 2025

Conversion from XML to DLG

Status: Open.

#294 In ccsb-scripps/AutoDock-GPU;

· MicheleRoggia opened on Feb 20, 2025