Case Studies | Healthcare & Life Sciences

From personal GPUs to production-grade protein prediction on AWS

SageMaker Model Set Up

About

A Healthcare & Life Sciences business working with Cloud Combinator on AWS. The client is anonymised at their request.

Challenge

The challenge had three focus areas.

Compute constraints

Protein structure prediction models are demanding, and the client was running them on personal GPU resources and Google Colab. GPU availability and memory limits capped the size of the sequences the team could process and slowed every iteration.

Scalable inference for large sequences

Some predictions take many minutes and produce large outputs. The client needed a way to submit large protein sequences, process them on powerful GPUs without holding resources idle, and be notified when results were ready.

A professional, cost-aware environment

The team needed a governed SageMaker environment with the right access controls, storage tiering across EBS, EFS, FSx and S3, and on-demand GPU provisioning, so costs tracked actual usage and the platform could be handed over cleanly.

Solution

For import-based models such as ESMFold, a researcher uploads a protein sequence to an Amazon S3 bucket. That upload triggers an AWS Lambda function which invokes a SageMaker asynchronous inference endpoint. Because the endpoint is asynchronous, the request enters an internal queue and the caller is told where to find the result rather than waiting on the line.

10-week

Phased delivery from infrastructure to model handover

1 GB

Maximum protein sequence payload per asynchronous request

50%

Of eligible engagement cost supported through AWS funding

By the numbers:

  • 10-week - Phased delivery from infrastructure to model handover
  • 1 GB - Maximum protein sequence payload per asynchronous request
  • 50% - Of eligible engagement cost supported through AWS funding
Changes

By the end of the engagement, the client has a scalable AWS environment that removes the compute ceiling of local hardware and supports continued development of its therapeutic platform. Acceptance is defined against a working SageMaker environment, validated permissions and a demonstrated end-to-end inference workflow, with ownership transferred to the client's own AWS account.

  • Compute unlockedOn-demand GPU provisioning on SageMaker replaces constrained personal hardware, so sequence size and iteration speed are no longer capped by a single machine.
  • Scalable inferenceAn asynchronous, auto-scaling endpoint processes large protein sequences and notifies the team on completion, keeping expensive GPUs busy only when there is work to do.
  • Cost-aware storageData is managed across S3, EBS, EFS and FSx for Lustre, matching each workload to the right storage tier.
  • Owned and governedThe platform runs in the client's own AWS account with proper roles and permissions, so the team controls both cost and data.
  • HandoverRunbooks, Loom walk-throughs and a knowledge-transfer workshop leave the client's team able to operate and extend the environment.

With a production-ready SageMaker foundation in place, the client can scale its protein prediction work in step with its science, ready to take on larger models and new therapeutic targets.

AWS Stack

Amazon SageMaker

For the managed environment, Code Editor workspaces and asynchronous GPU inference.

AWS Lambda

For event-driven triggering of inference jobs from S3 uploads.

Amazon S3

For input sequences, prediction outputs and large-scale data storage.

Amazon SNS

For job completion and failure notifications.

Amazon FSx

For Lustre for high-performance access to large model files during inference.

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