Commits · c715b13830923faa8b27a3be1795d0326e6e1c4d · OpenDAS / OpenFold · GitLab

06 May, 2024 22 commits
- Merge remote-tracking branch 'refs/remotes/jnwei/pl_upgrades' into pl_upgrades · c715b138
  Jennifer Wei authored May 06, 2024
  
  c715b138
- Remove nvcc compute capability 37 which caused kernel build issues · e3e09c46
  jnwei authored Apr 23, 2024
  
  e3e09c46
- Reset miniforge version to 23.3.1-1 · 4172f34b
  Jennifer authored Apr 22, 2024
  
  4172f34b
- small edit to Dockerfile · 52d4bb81
  Jennifer authored Apr 22, 2024
  
  52d4bb81
- upgrading hmmer hhsuite and kalign2 packages · 2b2f7b75
  Jennifer authored Apr 22, 2024
  
  2b2f7b75
- change mamba version · 435ec2f6
  jnwei authored Apr 22, 2024
  
  435ec2f6
- Split cuda install commands in Dockerfile · 6b9c61c0
  jnwei authored Apr 22, 2024
  
  6b9c61c0
- updates Bio.PDBData call and environment.yml · 571ae26e
  Jennifer authored Apr 22, 2024
  
  571ae26e
- adjust pytorch version number · 8d816e36
  jnwei authored Apr 20, 2024
  
  8d816e36
- changes to Dockerfile ane pin mkl to 2024 · 1b7f8f46
  jnwei authored Apr 20, 2024
  
  1b7f8f46
- Update gpg keys for Docker build · 4631b54f
  jnwei authored Apr 20, 2024
  
  4631b54f
- updates Dockerfile · ee502a2a
  jnwei authored Apr 19, 2024
  
  ee502a2a
- Updates low_precision check to use current precision settings. · 0a8ae6a7
  Jennifer authored Apr 19, 2024
  
  0a8ae6a7
- change message for test_model.py compare · cdf60396
  Jennifer authored Apr 17, 2024
  
  cdf60396
- adds reload_dataloaders_every_n_epochs flag · 19c81588
  Jennifer authored Apr 11, 2024
  
  19c81588
- more logging changes · 3eed6cb8
  Jennifer authored Mar 27, 2024
  
  3eed6cb8
- add metric logging to progress bar. · 53cdb247
  Jennifer authored Mar 25, 2024
  
  53cdb247
- Additional fix for multimer deepspeed test · 4f2f069b
  Christina Floristean authored Jan 23, 2024
  
  4f2f069b
- first pass changes to run with pl 2.1 · 7de0ab00
  Jennifer authored Jan 24, 2024
  
  7de0ab00
- initial compatibility changes for upgrading multimer · a51b08cd
  Jennifer authored Jan 12, 2024
  
  a51b08cd
- remove test print statements · 76fb7ce6
  Jennifer Wei authored May 06, 2024
  
  76fb7ce6
- adds mpi4py to environment and removes stray print statements from test · af457b95
  Jennifer Wei authored May 06, 2024
  
  af457b95
02 May, 2024 18 commits
- Updates environment.yml to unpin wandb version · 9b6c1dac
  Jennifer authored May 02, 2024
  
  9b6c1dac
- Updates organization of command line flags for pl.Trainer · 142c5e65
  Jennifer authored May 02, 2024
  
  142c5e65
- Removes OF copy of zero_to_fp32.py favoring deepspeed.util version · 2eda3215
  Jennifer authored Apr 02, 2024
  
  2eda3215
- Removes OF copy of zero_to_fp32.py favoring deepspeed.util version · 3a4ed753
  Jennifer authored Apr 02, 2024
  
  3a4ed753
- Merge branch 'setup-improvements' of https://github.com/aqlaboratory/openfold... · e4f9af23
  Jennifer authored May 02, 2024
```
Merge branch 'setup-improvements' of https://github.com/aqlaboratory/openfold into setup-improvements
```
  e4f9af23
- updates Bio.PDBData call and environment.yml · 02cb7711
  Jennifer authored Apr 22, 2024
  
  02cb7711
- adds deepspeed_evoformer flag to inference script. · c4cccb6b
  Jennifer authored Apr 30, 2024
  
  c4cccb6b
- changes required for pytorch2 · 19525826
  Jennifer Wei authored Apr 12, 2024
  
  19525826
- DNS: Local profiler changes · 226c7bac
  Jennifer authored Mar 29, 2024
  
  226c7bac
- adds config recording to wandb · eba00d85
  Jennifer authored Mar 13, 2024
  
  eba00d85
- Adds `experiment_config_json` for setting custom configurations with a json. · 870e0db3
  Jennifer authored Mar 13, 2024
  
  870e0db3
- removes outputs from OpenFold.ipynb · 0ba7e7f9
  jnwei authored Feb 21, 2024
  
  0ba7e7f9
- Add log statement to weight conversion script · d4ed0b0c
  Jennifer authored Feb 13, 2024
  
  d4ed0b0c
- bugfixes and adds a section to convert optim files · 67454c39
  Jennifer authored Feb 12, 2024
  
  67454c39
- Updates commit value for OpenFold notebook. · 638fbaf6
  jnwei authored Feb 21, 2024
  
  638fbaf6
- fix path error in scripts/utils.py and logging fix · 2dd481e1
  Jennifer authored Apr 29, 2024
  
  2dd481e1
- run_pretrained_openfold.py: Change default paths of binary to be conda environment bin · cfb4c19c
  jnwei authored Apr 23, 2024
  
  cfb4c19c
- clear up some space for docker ci · f4e54ec7
  Jennifer authored Apr 22, 2024
  
  f4e54ec7