schrojunzhang/KarmaDock

Issues

• 运行ligand_docking.py文件时，实例化模型前后测试集中数据为什么发生了变化！！！

  #21 opened 9 months ago by ljxabc
  1

• unresonable result occur, why?

  #26 opened 5 months ago by songyu2022
  2

• IndexError: list index out of range

  #25 opened 6 months ago by AIM132
  0

• Model weights trained based on time-split PDBBind dataset division

  #24 opened 7 months ago by VicFisher
  0

• mdn_score_pred changes across different trails

  #23 opened 8 months ago by lindsey98
  0

• screening results poses

  #22 opened 8 months ago by CLG68
  1

• Typos & Request

  #17 opened a year ago by zhongxiang117
  1

• Issues related to generate graphs

  #20 opened 9 months ago by AIM132
  1

• 如何产生一个pkl文件？

  #19 opened 10 months ago by Dr-F-Arthur
  0

• 蛋白质口袋未知，如何进行虚拟筛选

  #18 opened a year ago by PinzhuoWu
  0

• Error on Residues Distances

  #16 opened a year ago by zhongxiang117
  0

• Why not use torch.scatter_reduce_ instead of the third-party pytorch_scatter operator

  #14 opened a year ago by GuWei007
  1

• pocket为空

  #15 opened a year ago by hhh12345678990
  0

• Peptide docking

  #12 opened a year ago by gc-js
  0

• 是否可以进行多配体对接？

  #11 opened a year ago by zfzzfzzfz
  0

• Does the karmadock code in the repository work on windows 10?

  #10 opened a year ago by MachineGUN001
  0

• Molecule does not have explicit Hs. Consider calling AddHs()

  #9 opened a year ago by Lyases
  1

• the meaning of score?

  #8 opened a year ago by songyu2022
  1

• Functionality for arbitrary protein-ligand pair docking

  #7 opened a year ago by isty2e
  0

• Subject: Performance Issues with Virtual Screening Algorithm

  #3 opened a year ago by STM32F103C8T6
  3

• Dependencies versions

  #4 opened a year ago by Jameel9
  3

• Meanings of "align_corrected", "ff_corrected" and "uncorrected"

  #6 opened a year ago by Yueming-Yin
  2

• Steric clash in docking result file

  #5 opened a year ago by Le-Phung-Hien
  0

• Using KarmaDock for virtual screening

  #2 opened a year ago by Le-Phung-Hien
  1

• 模型权重问题

  #1 opened a year ago by HBioquant
  5