labdao/diffdock

Issues

• No rule to make target /opt/conda/lib/libpython3.10.so, needed by lib/_openbabel.so

  #15 opened a year ago by vedifredi
  1

• integrate oddt scoring

  #12 opened 2 years ago by NiklasTR
  0

• resolve error when running current container on A100 GPU

  #5 opened 2 years ago by NiklasTR
  1

• run diffdock on GPU successfully

  #9 opened 2 years ago by NiklasTR
  0

• resolve test-related issue when running diffdock in container

  #2 opened 2 years ago by NiklasTR
  1

• address container warning for CUDA 11.6 deprecation notice

  #1 opened 2 years ago by NiklasTR
  0