Sören Wacker

Sören Wacker

Research Software and HPC Engineer
Full-stack engineer building the software and data infrastructure behind research — from front-end apps and APIs to databases, containerized deployment, and CI/CD. I turn complex scientific inputs into stable, production-ready systems: terabyte-scale multi-omics pipelines, protocol-driven validation engines, and HPC compute environments.

Selected Projects

Automated data governance framework with ontology-backed validation, factory-pattern entity generation, and multi-interface deployment.

In partnership with

Building expertise in FAIR data management and AI-ready research data governance for life sciences.

In partnership with

HPC cluster observability platform for capacity planning and resource optimization across multi-tenant compute environments.

2023-Present (10-year project)

Multi-institutional research data platform with federated identity, MLOps integration, and GitOps deployment across four Dutch universities.

SCENNIA: Microbial Cell Image Segmentation & Classification

SCENNIA: Microbial Cell Image Segmentation & Classification

2024 (6-week project)

Rapid proof-of-concept demonstrating production-grade deep learning inference in browser environments.

World's largest microbial multi-omics dataset: 35,000+ samples, 100TB+ data, multi-tenant storage architecture.

In partnership with

Distributed proteomics QC system with job queue durability, container isolation, and zero data pollution in high-throughput environments.

In partnership with

High-throughput data processing engine handling 3000+ file batches where existing tools failed at scale.

In partnership with
Machine Learning for Drug Discovery (Achlys-Inc)

Machine Learning for Drug Discovery (Achlys-Inc)

2014-2016

ML startup applying predictive models to drug safety assessment, focusing on cardiac toxicity prediction.

In partnership with

Side Projects

2026-Present

Local-first knowledge architecture with edge compute, client-side state synchronization, and zero server-side overhead.

2026-Present

Hierarchical data management with embedded database architecture and offline-first synchronization.

Real-time collaborative application demonstrating Firebase event-driven architecture.

PhD in Computational Drug Design & Molecular Dynamics Simulations
Georg-August University & Max Planck Institute, Göttingen · 2012
Physics Studies (Diplom)
Leibniz University Hannover & University of Göttingen · 2002-2009

Selected Publications

LAMPrEY: a Python-based automated quality control tool for large-scale proteomics datasets

2026

Valdés-Tresanco ME, Wacker S, Lewis IA

bioRxiv (preprint)

MS-MINT: An Open-Source Data Analysis Software for Large-Scale Metabolomics Studies

2026

Valdés-Tresanco ME, Valdés-Tresanco MS, Wacker S, Brodie NI, Ponce LF, Aburashed R, Mansuri A, Groves RA, Ulke-Lemée A, Lewis IA

Analytical Chemistry

SCALiR: A Web Application for Automating Absolute Quantification of Mass Spectrometry-Based Metabolomics Data

2024

Ponce LF, Bishop SL, Wacker S, Groves RA, Lewis IA

Analytical Chemistry

Microbiota alters the metabolome in an age- and sex-dependent manner in mice

2023

Brown K, Thomson CA, Wacker S, Groves R, Fan V, Lewis IA, McCoy KD

Nature Communications

Moving beyond descriptive studies: harnessing metabolomics to elucidate the molecular mechanisms underpinning host-microbiome phenotypes

2022

Bishop SL, Drikic M, Wacker S, Chen Y, Kozyrskyj A, Lewis IA

Mucosal Immunology

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modelling Approach

2021

Lee K, Fant AD, Guo J, et al., Wacker S, et al.

Journal of Chemical Information and Modeling

Performance of machine learning algorithms for qualitative and quantitative prediction drug blockade of hERG1 channel

2017

Wacker S, Noskov SY

Computational Toxicology

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