Commits · cb899a5ab4f5c2aca5c4023f88904de0189f5a5a · OpenDAS / OpenFold

24 Apr, 2025 1 commit
- support openmm>8 and fix tolerance units in amber minimization · 7e06ed98
  Jennifer Wei authored Apr 24, 2025
  
  7e06ed98
23 Apr, 2025 2 commits
- fix environment to support tests · 0c2d455e
  Jennifer Wei authored Apr 23, 2025
  
  0c2d455e
- Maintainance to pl_upgrades · 100a309e
  Jennifer Wei authored Apr 23, 2025
  
  100a309e
22 Oct, 2024 1 commit
- Fix pl_upgrades enwironment (numpy, cuda, gcc) · 6bdbd48f
  Vaclav Hanzl authored Oct 22, 2024
  
  6bdbd48f
13 May, 2024 5 commits
- Removes mpi4py from environment.yml -- not supported for Docker builds · 6384d793
  jnwei authored May 13, 2024
  
  6384d793
- remove mpipy from pip install requirements · dc93d33c
  Jennifer Wei authored May 13, 2024
```
An mpi lib file is missing from the currently selected docker image. More testing is needed to support mpi mode for the docker CI.
```
  dc93d33c
- fix typo in environment.yml · 1647ec90
  Jennifer Wei authored May 13, 2024
  
  1647ec90
- fix typo in environment.yml · 6cba403b
  jnwei authored May 13, 2024
  
  6cba403b
- Adds mkl version to environment.yml · a744abee
  Jennifer authored Apr 30, 2024
  
  a744abee
09 May, 2024 2 commits
- adds mmseqs2 to environment.yml for clustering · 9a6deab7
  jnwei authored May 09, 2024
  
  9a6deab7
- Adds mkl version to environment.yml · 60eff632
  Jennifer authored Apr 30, 2024
  
  60eff632
06 May, 2024 7 commits
- pins mkl version to 2022 to avoid conda environment conflict · f10f6620
  Jennifer Wei authored May 06, 2024
  
  f10f6620
- upgrading hmmer hhsuite and kalign2 packages · 2b2f7b75
  Jennifer authored Apr 22, 2024
  
  2b2f7b75
- 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
- initial compatibility changes for upgrading multimer · a51b08cd
  Jennifer authored Jan 12, 2024
  
  a51b08cd
- adds mpi4py to environment and removes stray print statements from test · af457b95
  Jennifer Wei authored May 06, 2024
  
  af457b95
02 May, 2024 3 commits
- Updates environment.yml to unpin wandb version · 9b6c1dac
  Jennifer authored May 02, 2024
  
  9b6c1dac
- updates Bio.PDBData call and environment.yml · 02cb7711
  Jennifer authored Apr 22, 2024
  
  02cb7711
- changes required for pytorch2 · 60fbe539
  Jennifer Wei authored Apr 12, 2024
  
  60fbe539
30 Apr, 2024 1 commit
- Adds mkl version to environment.yml · 64631f0c
  Jennifer authored Apr 30, 2024
  
  64631f0c
22 Apr, 2024 2 commits
- upgrading hmmer hhsuite and kalign2 packages · 1d223734
  Jennifer authored Apr 22, 2024
  
  1d223734
- updates Bio.PDBData call and environment.yml · ad34fc3c
  Jennifer authored Apr 22, 2024
  
  ad34fc3c
20 Apr, 2024 2 commits
- adjust pytorch version number · 793eb966
  jnwei authored Apr 20, 2024
  
  793eb966
- changes to Dockerfile ane pin mkl to 2024 · addb80a8
  jnwei authored Apr 20, 2024
  
  addb80a8
19 Apr, 2024 1 commit
- fix mkl version to 2024.0.0 · 3cab807e
  jnwei authored Apr 19, 2024
  
  3cab807e
12 Apr, 2024 1 commit
- changes required for pytorch2 · ce000c60
  Jennifer Wei authored Apr 12, 2024
  
  ce000c60
19 Mar, 2024 1 commit
- initial compatibility changes for upgrading multimer · 5f5a79a7
  Jennifer authored Jan 12, 2024
  
  5f5a79a7
19 Feb, 2024 1 commit
- initial compatibility changes for upgrading multimer · 456103da
  Jennifer authored Jan 12, 2024
  
  456103da
23 Jan, 2024 1 commit
- initial compatibility changes for upgrading multimer · e71c1b14
  Jennifer authored Jan 12, 2024
  
  e71c1b14
12 Jan, 2024 1 commit
- initial compatibility changes for upgrading multimer · 2ed81151
  Jennifer authored Jan 12, 2024
  
  2ed81151
06 Dec, 2023 1 commit
- Updated DeepSpeed version, added inplace_safe for template offloading · cdd97841
  Christina Floristean authored Dec 06, 2023
  
  cdd97841
10 Nov, 2023 1 commit
- Return to regular kernel usage · 54d414e4
  Christina Floristean authored Nov 10, 2023
  
  54d414e4
02 Nov, 2023 1 commit
- Change order of numpy and pandas dependencies to keep numpy version. · f95d9a57
  jnwei authored Nov 02, 2023
  
  f95d9a57
27 Oct, 2023 1 commit
- Adds libgcc and pytorch::pytorch to environment.yml · 13f0f6fe
  Jennifer Wei authored Oct 27, 2023
  
  13f0f6fe
24 Oct, 2023 3 commits
- update flash-attention-version · a5a86d43
  jnwei authored Oct 24, 2023
  
  a5a86d43
- Add git to environment.yml · f06657fe
  Jennifer Wei authored Oct 24, 2023
  
  f06657fe
- Test flash-attention v0.2.1 on docker CI · a90da395
  jnwei authored Oct 24, 2023
  
  a90da395
23 Oct, 2023 1 commit
- Use conventional "short hash" style · 7666c802
  Matthew W. Thompson authored Oct 23, 2023
  
  7666c802