dptech-corp/Uni-Dock

Issues

• Proposal: Unifying Uni-Dock License to Apache 2.0

  #151 opened a month ago by zhengh96
  2

• v1.1.2 randomly changes its output without any valid cause

  #139 opened a month ago by YuichiMotai
  5

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

  #149 opened 2 months ago by jslee-hits
  0

• Unexpected high positive affinity score and a constant "ENERGY FROM SEARCH"

  #144 opened 6 months ago by AquifersBSIM
  0

• Batch mode on command line

  #140 opened 7 months ago by VidyalakshmiCM
  1

• protocol or parameters for PR docking using Unimol/Unidock

  #143 opened 6 months ago by CLG68
  0

• Size limit to the molecular weight of small molecule ligands

  #142 opened 6 months ago by stan1233
  0

• Cuda error 700

  #141 opened 7 months ago by VidyalakshmiCM
  0

• Segmentation Fault (Core Dumped)

  #138 opened 8 months ago by stepha86
  0

• Cuda runtime error =

  #136 opened 9 months ago by davide-grheco
  0

• Seed doesn't seem to be working properly.

  #133 opened 10 months ago by matija-marijan
  3

• Working with macrocycles / G atoms

  #37 opened 2 years ago by miretchin
  2

• in ligand index, unable to find mol file, only first without others.

  #130 opened a year ago by songyu2022
  1

• CUDA Runtime Error when using ad4 maps

  #115 opened a year ago by NiBoyang
  4

• Unknown order of ligands in the output

  #129 opened a year ago by zas97
  2

• Fail on screening test case mmp13 on version v1.1.x

  #118 opened a year ago by platinhom
  2

• target_compile_features no known features for CXX compiler

  #126 opened a year ago by AquifersBSIM
  6

• Unidock pipeline fails to read ligand index

  #124 opened a year ago by davide-grheco
  1

• OOM using ad4 scoring function

  #114 opened a year ago by dp-yuanyn
  0

• run unidock, report segmentation fault while using file index

  #112 opened a year ago by dp-yuanyn
  0

• WARNING: Could not find any conformations

  #111 opened a year ago by bit-lcf
  0

• missing installation instruction in unidock_tools

  #107 opened a year ago by c-bt
  0

• typo in examples

  #106 opened a year ago by c-bt
  1

• How to dock

  #109 opened a year ago by c-bt
  0

• Error in vina score

  #102 opened a year ago by tom832
  2

• cmake -B build -D FETCH_BOOST=ON does not fetch boost

  #93 opened a year ago by james-vincent
  6

• 1.1.1 source release contains version string 1.1.0

  #100 opened a year ago by jjv5
  1

• Compiling error on CUDA 11

  #94 opened a year ago by caic99
  0

• How to get score when run unidock tooks?

  #89 opened a year ago by smilenaderi
  4

• Version still marked as 0.1.0 in the 1.0.0 release

  #41 opened a year ago by james-vincent
  1

• MCDock Run Rigid Docking with Incorrect Input SDF Files

  #88 opened a year ago by dp-yuanyn
  0

• SDF files fail to run using Ligand Index

  #69 opened a year ago by xavierchee
  7

• Feature Request: Separate ./unidock and ./unidock_tools as 2 repo

  #84 opened a year ago by RuikangSun
  1

• Potential array index out of range.

  #85 opened a year ago by wzf03
  1

• Internal error occurred while running Uni-Dock using ad4 scoring function

  #82 opened a year ago by dp-yuanyn
  1

• Uni-Dock hangs forever on NVIDIA T4 GPU

  #67 opened a year ago by dp-yuanyn
  3

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

  #75 opened a year ago by zhengh96
  0

• Unidock seems to be not progressing.

  #59 opened a year ago by majumderS
  4

• Please specify what the maximum number of ligand torsions is in the documentation.

  #60 opened a year ago by jpmfc6
  1

• Save scoring components as SD data

  #57 opened a year ago by gkxiao
  0

• CUDA error - not sure of solution

  #54 opened a year ago by JGBurgess1
  3

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

  #53 opened a year ago by xavierchee
  1

• can

  #50 opened a year ago by zengdashi
  2

• License

  #51 opened a year ago by RaulFD-creator
  2

• installation

  #42 opened 2 years ago by dinu09
  9

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

  #44 opened 2 years ago by yanze039
  1

• Sources not included in release source downloads

  #40 opened 2 years ago by james-vincent
  0

• Request for Detailed Explanation on Biased Docking

  #39 opened 2 years ago by rkakamilan
  0

• Common bias support

  #33 opened 2 years ago by pkuyyj
  0

• Error: could not open "" for reading.

  #32 opened 2 years ago by yanze039
  3