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AlphaFold v2.1.2

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@Augustin-Zidek Augustin-Zidek released this 28 Jan 10:01
· 111 commits to main since this release

Version v2.1.2 is a bug fix release that also includes the earlier license change.

Change log

  • Update the license of the AlphaFold parameters from CC BY-NC 4.0 to CC BY 4.0. There are no changes to the actual model parameters.
  • The relaxation stage now runs on GPU by default and should be roughly 3x faster thanks to that. You can control this behaviour using the enable_gpu_relax flag (thanks @ojcharles).
  • The relaxation stage can now be disabled using the run_relax flag (thanks @bkpoon).
  • AlphaFold in Docker is now run as the current user not as the root, you can control that using the docker_user flag (thanks @akors).
  • Truncate the MSA when reading the raw Stockholm file to prevent out of memory issues. This should help in cases where the MSA found by Jackhmmer was massive (thanks @hegelab).
  • Update Dockerfile CUDA version to 11.1 and fix JAX version (thanks @chrisroat).
  • Small README, Colab, and flag documentation improvements.