AlphaPulldown

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

Three out of four AlphaPulldown containers has been 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 has been build following the Dockerfiles found in AlphaPulldown/docker/ folder of the GitHub repository. Unfortunately building the "analysis" container is more challenging; it might come in future.

We were not able to test those containers : if you an AlphaPulldown user, please feel free to give them a try and let us know whether they are properly working by sending an email to cluster-support@id.ethz.ch. Any "toy" examples, or general feedback are also very much appreciated.