AlphaFold v2.1.2
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.