google-deepmind/alphafold v2.1.2

AlphaFold v2.1.2

on GitHub

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.