PhenoMeNal Large Scale Computing for Medical Metabolomics

Noureddin Sadawi Jianliang Gao

Ibrahim Karaman

Research Associates Dept. Surgery & Cancer, Imperial College London

(ICL)

Metabolomics

Key Objectives

•  Understand the computational needs of the

Clinical & Medical Metabolomics Community. •  Integrate and scale existing Open Source tools

into a well-tested e-infrastructure.

Scientific Motivation

Example: The National Phenome Centre (NPC) at Imperial College London

~

Metabolomics in the Cloud

Main Components

DataProducer

PackagedDataToolContainers

Toolmaker

ComputeInfrastructure

PhenoMeNal VREPortalh>p://portal.phenomenal-h2020.eu/

Infrastructure & Users

PhenoMeNal Deployment Ecosystem

Cloudflare

Terraform

KubeNow

Role of ICL

●  Develop Workflows, Tools and Containers

●  Test Workflows, Tools and Containers ●  Generate and Provide Clinical

Metabolomic Data ●  Ethical, Legal and Social Implications

(ELSI)

Acknowledgements

• Team @ ICL & NPC • Cheminformatics & Metabolism @ EBI • Cloud Team @ EBI • PhenoMeNal partners • Communities around many software

projects (Kubernetes, Galaxy, etc.).

THANK YOU. ANY QUESTIONS?

Project website and GitHub repository: http://phenomenal-h2020.eu/home/ https://github.com/phnmnl/