luost26/3D-Generative-SBDD

Issues

• Clarification on Pocket2Mol model training with CrossDocked2020 dataset

  #25 opened 2 years ago by mahmoud-ekhani
  1

• Cannot get valid molecule from running sample.py for a long time

  #4 opened 3 years ago by simmed00
  14

• Issues about vina score calculation in docking.py

  #24 opened 2 years ago by Layne-Huang
  1

• Run sample.py failed: OSError: libc10_cuda.so: cannot open shared object file: No such file or directory

  #22 opened 2 years ago by zyx5256
  1

• How to evaluate the model?

  #19 opened 3 years ago by Layne-Huang
  1

• Reproducibility is not guaranteed

  #12 opened 3 years ago by lg2840
  1

• generated molecules seem to be short

  #21 opened 3 years ago by orgw
  0

• Could you share the codes of 'Linker Prediction' parts?

  #20 opened 3 years ago by tbwxmu
  2

• IndexError: list index out of range

  #16 opened 3 years ago by Layne-Huang
  0

• how to generate molecule from my protein?

  #13 opened 3 years ago by Neo-Flash
  2

• where is crossdocked_pocket10_name2id.pt??

  #18 opened 3 years ago by orgw
  1

• How to test the program by our own system

  #5 opened 3 years ago by YuxiuLiu
  4

• FileNotFoundError: [Errno 2] No such file or directory: './data/crossdocked_pocket10_name2id.pt'

  #15 opened 3 years ago by Layne-Huang
  1

• error in sample.py

  #14 opened 3 years ago by futianfan
  1

• The index of the dataset

  #11 opened 3 years ago by ChengchengGutenTag
  0

• can not run the sample.py

  #10 opened 3 years ago by waitma
  8

• Fail to load state dict when running sample.py

  #9 opened 3 years ago by fyabc
  3

• Generated ligand poses are not in the protein pocket

  #6 opened 3 years ago by hjuinj
  10

• 关于pocket文件的问题

  #8 opened 3 years ago by Saoge123
  3

• Information about dataset

  #7 opened 3 years ago by ss62171
  0

• data_id的取值

  #3 opened 3 years ago by YuxiuLiu
  0

• How to determine if the generated atoms/bonds are aromatic or not?

  #2 opened 3 years ago by mengliu1998
  2

• Source code

  #1 opened 3 years ago by HBioquant
  1