Jennifer Wei
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be2ec1841f
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Merge pull request #560 from borisfom/fix-cueq-scaling
Fixed cuequivariance external fallback and scaling
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2025-12-16 16:41:53 +07:00 |
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Boris Fomitchev
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6839eafa81
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Fixed cueq external fallback and scaling
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-12-16 00:54:57 -08:00 |
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Jennifer Wei
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56da08ec75
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Merge pull request #553 from borisfom/nv_upstream_trt_cuequivariance
NVIDIA cuEquivariance and TensorRT integration
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2025-11-17 19:59:34 +07:00 |
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Boris Fomitchev
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a5257447a5
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Install docs added
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-11-16 17:04:18 -08:00 |
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Boris Fomitchev
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4292bd6c95
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Addressing code review comments: test skip, docs
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-11-14 16:05:10 -08:00 |
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Boris Fomitchev
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007d854759
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Merge remote-tracking branch 'gh/main' into nv_upstream_trt_cuequivariance
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2025-11-14 14:39:26 -08:00 |
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Boris Fomitchev
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96a89c6683
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Merge remote-tracking branch 'b/nv_upstream_trt_cuequivariance' into nv_upstream_trt_cuequivariance
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2025-11-07 13:38:19 -08:00 |
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Boris Fomitchev
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e2d4bb9e4e
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Fixed the bug for multimer case
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-11-07 13:37:00 -08:00 |
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Jennifer Wei
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ad830e6d5c
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Fix configuration call of cuequivariance
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2025-11-06 18:19:43 +07:00 |
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Jennifer Wei
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410267f6fe
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restore missing relax_protein input
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2025-11-06 18:15:22 +07:00 |
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Boris Fomitchev
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a1cf318e2a
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CuEq->DeepSpeed Fallback
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-10-24 16:37:05 -07:00 |
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Boris Fomitchev
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cdf9d6927c
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Fixing fake bias shape
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-10-23 23:13:07 -07:00 |
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Jennifer Wei
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ce0029e119
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Merge pull request #550 from aqlaboratory/dependabot/github_actions/actions/checkout-5
Bump actions/checkout from 4 to 5
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2025-09-15 11:09:13 +07:00 |
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Boris Fomitchev
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51c9069e8c
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Added uniform copyright strings
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-09-10 18:42:02 -07:00 |
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Boris Fomitchev
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b713c1bbcf
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TensorRT integration
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-09-07 16:39:02 -07:00 |
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Boris Fomitchev
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41d1c82165
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cuEquivariance integration
Signed-off-by: Boris Fomitchev <bfomitchev@nvidia.com>
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2025-09-07 16:20:31 -07:00 |
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dependabot[bot]
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9361292548
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Bump actions/checkout from 4 to 5
Bumps [actions/checkout](https://github.com/actions/checkout) from 4 to 5.
- [Release notes](https://github.com/actions/checkout/releases)
- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)
- [Commits](https://github.com/actions/checkout/compare/v4...v5)
---
updated-dependencies:
- dependency-name: actions/checkout
dependency-version: '5'
dependency-type: direct:production
update-type: version-update:semver-major
...
Signed-off-by: dependabot[bot] <support@github.com>
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2025-08-12 05:04:36 +00:00 |
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Jennifer Wei
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e938c184a2
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Merge pull request #534 from aqlaboratory/pl_upgrades
Update openfold to use pytorch 2 and other updated dependencies
v2.2.0
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2025-04-26 08:31:36 +07:00 |
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jnwei
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c587b06e8a
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add Open In Colab banner to notebook.
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2025-04-25 20:07:32 -05:00 |
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jnwei
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50a2e756e7
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Update OpenFold notebook to updated pytorch2 commit
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2025-04-25 20:02:11 -05:00 |
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Jennifer Wei
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1ffd197489
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Merge pull request #533 from jnwei/pl_upgrades
Update pl_upgrades to use numpy 2 and update other dependencies
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2025-04-26 05:07:47 +07:00 |
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Jennifer Wei
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620a54fb13
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Update amber_minimize.py
small fix to spacing
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2025-04-26 05:06:20 +07:00 |
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Jennifer Wei
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a5433c3af6
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Update config.py
small fix to spacing
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2025-04-26 05:05:25 +07:00 |
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Jennifer Wei
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fe10216190
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update version number.
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2025-04-25 21:59:55 +00:00 |
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Jennifer Wei
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16af434172
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fix inference documentation
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2025-04-25 21:50:42 +00:00 |
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Jennifer Wei
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0672517777
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Update installation docs to build CUDA12 version
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2025-04-25 20:35:25 +00:00 |
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Jennifer Wei
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4312aec6b2
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Add link to issue for deepspeed_evo_attention test.
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2025-04-25 20:31:38 +00:00 |
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Jennifer Wei
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da37880bb7
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Allow numpy>2 and support compute capability >9
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2025-04-24 22:25:20 +00:00 |
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Jennifer Wei
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cb899a5ab4
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Merge pull request #2 from aqlaboratory/pl_upgrades
merge changes from upstream pl_upgrades
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2025-04-25 04:55:51 +07:00 |
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Jennifer Wei
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7e06ed9821
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support openmm>8 and fix tolerance units in amber minimization
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2025-04-24 21:33:53 +00:00 |
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Jennifer Wei
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9caf30ae13
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Change casting for deepspeed compare model test to fp32
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2025-04-24 20:51:34 +00:00 |
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Jennifer Wei
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0c2d455efe
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fix environment to support tests
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2025-04-23 23:47:26 +00:00 |
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Jennifer Wei
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ab4a245985
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Merge branch 'main' into pl_upgrades
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2025-04-23 20:18:29 +00:00 |
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Jennifer Wei
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100a309e01
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Maintainance to pl_upgrades
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2025-04-23 20:13:32 +00:00 |
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Jennifer Wei
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815a042c69
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Merge pull request #516 from nenuadrian/patch-1
Minor typo fix in Installation.md
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2025-02-24 10:36:56 +07:00 |
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Jennifer Wei
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26d1a5dacc
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Merge pull request #520 from etowahadams/etowahadams/update-script
Fix RODA flatten script
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2025-02-24 10:36:34 +07:00 |
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etowahadams
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e8d355874c
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updated script
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2025-02-23 18:52:59 -05:00 |
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Adrian (Mircea) Nenu
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a364defcd2
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Minor typo fix in Installation.md
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2024-12-26 09:50:59 +00:00 |
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Jennifer Wei
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a1192c8d3a
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Merge pull request #505 from etowahadams/update-install
docs: Add env var to install guide
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2024-12-04 15:14:25 +07:00 |
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etowahadams
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56277ea056
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fix: formatting
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2024-11-14 13:56:26 -05:00 |
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etowahadams
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c05a35412f
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fix: formatting
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2024-11-14 13:16:02 -05:00 |
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etowahadams
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f1d0ae7583
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try quotes
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2024-11-14 13:13:22 -05:00 |
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etowahadams
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6a43510aac
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fix: formatting
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2024-11-14 13:12:45 -05:00 |
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etowahadams
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9f09442d0a
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fix: formatting
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2024-11-14 13:10:46 -05:00 |
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etowahadams
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a01a60f754
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docs: env variable
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2024-11-14 13:08:37 -05:00 |
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ljarosch
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e605ec81dd
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Merge pull request #504 from aqlaboratory/revert-502-etowahadams/install-docs
Revert "docs: Add env var instructions to install guide "
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2024-11-14 12:36:56 -05:00 |
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Jennifer Wei
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625ade9196
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Revert "docs: Add env var instructions to install guide "
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2024-11-14 13:35:43 +07:00 |
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Jennifer Wei
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8ece4f3c0b
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Merge pull request #502 from etowahadams/etowahadams/install-docs
docs: Add env var instructions to install guide
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2024-11-14 13:06:45 +07:00 |
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etowahadams
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cde001fc40
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add environment variables
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2024-11-13 11:40:23 -05:00 |
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Jennifer Wei
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b79ca29c39
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Merge pull request #479 from vaclavhanzl/patch-3
Update Installation.md - fix pl_upgrades clone instructions
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2024-11-07 15:42:32 +07:00 |
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