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  • --ai-tool

    • AI folding tool to run (openfold, alphafold, esmfold)

    • default = alphafold

  • --mode

    • Mode to run with AI tool (monomer, multimer, singleseq)

    • default = monomer

  • --model-sets

    • The set of model weights to use with OpenFold (alphafold, openfold) (See Notes for more detail)

    • default = openfold

  • --existing-model-data

    • Location of existing model data in GCS

    • default = null

  • --precomputed-alignments

    • Directory path to precomputed alignments that will be upload and used for AlphaFold jobs

    • default = null

  • --run-relax

    • Enable or disable the Rosetta relax phase of post-processing

    • default = true false

  • --gpu-type

    • Select the GPU type to use (t4, a100) (See Notes for more detail)

    • default = t4

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The amount of GPU memory required increases quadratically with the number of amino acids in the system being modeled. If you are modeling a protein longer than 1500 residues or so, add the following options to the ai-folding submit command: --gpu-type=a100 --run-relax=false

References

AlphaFold Github

OpenFold Github

ESMFold Github