This Guidance helps researchers run a diverse catalog of protein folding and design algorithms on AWS Batch. Knowing the physical structure of proteins is an important part of the drug discovery process. Machine learning (ML) algorithms significantly reduce the cost and time needed to generate usable protein structures.
These systems have also inspired development of artificial intelligence (AI)-driven algorithms for de novo protein design and protein-ligand interaction analysis. This Guidance will allow researchers to quickly add support for new protein analysis algorithms while optimizing cost and maintaining performance.
https://aws.amazon.com/solutions/guidance/protein-folding-on-aws/?did=sl_card&trk=sl_card