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Commits on Apr 26, 2023

• 使用 Colaboratory 创建

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Commits on Apr 6, 2023

• Disable conda auto-updates in notebooks

  milot-mirdita

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Commits on Mar 22, 2023

• PDB->CIF conversion: replace modified AA HETATMs with unmodified ATOM version, throw away others

  milot-mirdita

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Commits on Mar 8, 2023

• Include all micro-versions of python 3.10 (#403)

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  Abhishaike

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• Update test.yml

  sokrypton

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Commits on Mar 3, 2023

• np.float -> float

  sokrypton

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Commits on Feb 28, 2023

• Try to downgrade python-cryptography to 38

  milot-mirdita

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• Next try to pin tensorflow-cpu to 2.11.0

  milot-mirdita

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• Created using Colaboratory

  milot-mirdita

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• downgrad jax to avoid nan

  sokrypton

  committed
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• downgrade jax to fix nan issue

  sokrypton

  committed
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Commits on Feb 24, 2023

• Update poetry.lock

  sokrypton

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• Update AlphaFold2_batch.ipynb

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  sokrypton

  committed
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Commits on Feb 21, 2023

• minor bugfix --model-order

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  sokrypton

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Commits on Feb 18, 2023

• v1.5.2 - fixing memory leaks (#388)

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  sokrypton

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Commits on Feb 6, 2023

• v1.5.1 - fixing --save-all/--save-recycles options

  sokrypton

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Commits on Feb 5, 2023

• v2.3.1 - merge 'beta' into 'main' (#371)

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Commits on Feb 3, 2023

• Revert "prepping for v1.4 tag"

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  sokrypton

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• Revert "v1.4.0 tag"

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  sokrypton

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• v1.4.0 tag

  sokrypton

  committed
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• prepping for v1.4 tag

  sokrypton

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Commits on Feb 2, 2023

• Revert "Created using Colaboratory"

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  sokrypton

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• Created using Colaboratory

  sokrypton

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Commits on Jan 23, 2023

• Update relax_amber.ipynb

  sokrypton

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• run on CPU

  sokrypton

  committed
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• setting default to use CPU (as GPU is having some issues right now)

  sokrypton

  committed
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Commits on Jan 21, 2023

• updating dm-haiku to fix error in jax

  sokrypton

  committed
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Commits on Jan 20, 2023

• fixing encoding error (when amber relax is used and notebook is run multiple times)

  sokrypton

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Commits on Jan 17, 2023

• updating py3Dmol

  sokrypton

  committed
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Commits on Jan 5, 2023

• Document that the hardware issue was resolved

  milot-mirdita

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Commits on Dec 26, 2022

• Update README.md

  milot-mirdita

  authored
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Commits on Dec 24, 2022

• Fix issues with `!` jupyter commands in combination with amber

  milot-mirdita

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Commits on Dec 10, 2022

• Replace os.system code to fetch templates with python code to handle network issues

  milot-mirdita

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Commits on Dec 2, 2022

• Retry API requests a couple times if non-timeout errors happen

  milot-mirdita

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Commits on Dec 1, 2022

• Don't hardcode openmm dependency to python 3.7

  milot-mirdita

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