AlphaPulldown

AlphaPulldown is a customised implementation of AlphaFold-Multimer, as described in their GitHub repository.

Three out of four AlphaPulldown containers are installed in /cluster/apps/nss/alphafold/containers/AlphaPulldown on Euler. We were able to build:

• alphafold3.dockerfile as apd-alphafold3-2.0.2.sif
• alphalink.dockerfile as apd-alphalink-2.0.2.sif
• pulldown.dockerfile as apd-pulldown-2.0.2.sif

These containers were built following the Dockerfiles found in AlphaPulldown/docker/ folder of the GitHub repository. Unfortunately building the "analysis" container is more challenging; it might come in the future.

These containers are not thoroughly tested yet. If you are an AlphaPulldown user, please feel free to give them a try and let us know whether they are properly working or not, by sending us an email to cluster-support@id.ethz.ch. Any "toy" examples, or general feedback are also very much appreciated.