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repos to containerize #24

@celalp

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@celalp

This will be an ever growing list but I think below is a good starting point.

  • Pocket2Mol
  • AF2
  • AF3
  • OmegaFold
  • AlphaFlow
  • RFDiffusion
  • bindcraft
  • DiffSBDD
  • Evo2 (requires H100, won't work on A100s)
  • ESM2
  • ESM3/ESM3c
  • HyenaDNA
  • mmseqs
  • colabfold (for local mmseqs)

The containers should contain all dependencies, the repo itself and the model weights if applicable. The only exception is mmseqs because that is several TBs in size. These need to be have a docker container (not singularity) needs to have Dockerfiles associated with the containers in this repo for other to produce.

The aim is to have a docker registry running in a vm that can pull singularity containers. This registry will host our containers and users can pull and push to the registry.

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