How to implement your own protein folding stack with 1-click

Brendan Bouffler
Date : March 16, 2023
Categories : AWS ParallelCluster ,Amazon NICE DCV ,Elastic Fabric Adapter ,Life Sciences
Tags : cpus ,dcv ,ec2 ,efa ,gpus ,hpc ,high performance computing ,lustre ,mpi ,parallel cluster ,schedulers ,storage ,alphafold ,autoscaling ,bioinformatics ,cloud computing ,elastic ,elastic fabric adapter ,infiniband ,openfold ,protein folding ,protein structures ,scientific computing ,technical computing ,tightly coupled ,virtualization ,vizualization ,techshorts

Protein folding has changed the workflow in drug discovery, complementing lab work and tools like CryoEM. But the software stacks are complex and scaling them takes a lot of work. Added to that, there’s a growing list of methods, following on from AlphaFold and OpenFold.

He and the team have released new architecture guidance and a one-click template, which you can build from to create your own custom environment.

The details are all here: https://aws.amazon.com/solutions/guidance/protein-folding-on-aws/

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