Issues

• [BUG] Abnormal binding score with ligand when using latest version 1.2

  bug
  dptech-corp/Uni-Dock#205 · Filter by author OleksandrSavytskyi opened on Sep 12, 2026
  1

• Feature Request: EasyDock Integration

  enhancement
  dptech-corp/Uni-Dock#190 · Filter by author sohithpydev opened on May 1, 2026

• Does UniDock tools support autobox for socre_only setting?

  enhancement
  dptech-corp/Uni-Dock#172 · Filter by author yemanbh opened on Dec 10, 2025

• Feature Request: Add Autodock B and Si parameters

  enhancement
  dptech-corp/Uni-Dock#166 · Filter by author hokru opened on Aug 4, 2025

• CUDA error

  bugcrashenvironmentneeds-info
  dptech-corp/Uni-Dock#165 · Filter by author sanskritinaik1 opened on Jul 23, 2025
  1

• Feature Request: Enhanced Python scripting with import

  enhancement
  dptech-corp/Uni-Dock#163 · Filter by author EtienneReboul opened on Jul 8, 2025

• Rescoring docked poses with Uni-Dock

  enhancement
  dptech-corp/Uni-Dock#158 · Filter by author BenCree opened on May 22, 2025
  1

• Feature Request: Support for Custom Scoring Parameters in Paired Batch Mode

  enhancement
  dptech-corp/Uni-Dock#157 · Filter by author juliaLopanskaia opened on Apr 24, 2025

• Inquiry Regarding Performance Improvement with --local_only Option (Test Results and System Information Included)

  needs-infoquestion
  dptech-corp/Uni-Dock#149 · Filter by author jslee-hits opened on Feb 12, 2025

• protocol or parameters for PR docking using Unimol/Unidock

  documentation
  dptech-corp/Uni-Dock#143 · Filter by author CLG68 opened on Oct 8, 2024
  

• Size limit to the molecular weight of small molecule ligands

  bugquestion
  dptech-corp/Uni-Dock#142 · Filter by author stan1233 opened on Oct 6, 2024
  

• Batch mode on command line

  bugcrashneeds-info
  dptech-corp/Uni-Dock#140 · Filter by author VidyalakshmiCM opened on Sep 10, 2024
  3

  

• Seed doesn't seem to be working properly.

  bug
  dptech-corp/Uni-Dock#133 · Filter by author matija-marijan opened on May 29, 2024
  3

  

• Unknown order of ligands in the output

  question
  dptech-corp/Uni-Dock#129 · Filter by author zas97 opened on May 1, 2024
  2

• OOM using ad4 scoring function

  bugcrash
  dptech-corp/Uni-Dock#114 · Filter by author dp-yuanyn opened on Apr 2, 2024
  

• WARNING: Could not find any conformations

  bugcrash
  dptech-corp/Uni-Dock#111 · Filter by author bit-lcf opened on Mar 25, 2024

• How to get score when run unidock tooks?

  enhancementquestion
  dptech-corp/Uni-Dock#89 · Filter by author smilenaderi opened on Mar 5, 2024
  4

• [Feature Request] Native Support for PDB Format Proteins as Receptor Input

  enhancement
  dptech-corp/Uni-Dock#75 · Filter by author zhengh96 opened on Feb 26, 2024

• SDF files fail to run using Ligand Index

  bugcrash
  dptech-corp/Uni-Dock#69 · Filter by author xavierchee opened on Feb 1, 2024
  7

• Save scoring components as SD data

  enhancement
  dptech-corp/Uni-Dock#57 · Filter by author gkxiao opened on Dec 20, 2023

• Could Uni-Dock parse an SDF ligand file containing multiple ligands?

  question
  dptech-corp/Uni-Dock#53 · Filter by author xavierchee opened on Oct 31, 2023
  1

• Could ligand preparation be accelerated, e.g. using multiprocessing, when drug library is huge?

  enhancementperformance
  dptech-corp/Uni-Dock#44 · Filter by author yanze039 opened on Sep 27, 2023
  1

• Request for Detailed Explanation on Biased Docking

  documentation
  dptech-corp/Uni-Dock#39 · Filter by author rkakamilan opened on Sep 24, 2023
  

• Working with macrocycles / G atoms

  bugscoring
  dptech-corp/Uni-Dock#37 · Filter by author miretchin opened on Sep 11, 2023
  5

• Common bias support

  enhancement
  dptech-corp/Uni-Dock#33 · Filter by author pkuyyj opened on Sep 2, 2023