Scientific Data Systems · ML/AI Engineering · Computational Biology

Scientific data systems and AI engineering for biology.

I engineer reproducible workflows, structured scientific data products, biological knowledge systems, and reviewable AI applications so computational methods remain reliable beyond a one-off analysis.

Validation · tests · provenancePython · R · SQL · NextflowKnowledge graphs · RAG · agents

From analytical results to scientist review.

At Broad, I built a deterministic medicinal-chemistry triage system connecting compound evidence with final human selection. It makes data integration, validation, and scientist-facing software part of the discovery workflow.

Integrate evidence
Combine candidate-prioritization outputs with structural properties, ADMET predictions, and chemical precedent.
Apply explicit checks
Standardize structures with RDKit and assess liabilities, drug-likeness, and the applicability of predictions.
Support scientist review
Use DuckDB-backed results and a Streamlit application to make the evidence available for final compound selection.

Aggregate description of internal work; public code and a live application are not provided. The triage workflow is deterministic, with scientists making the final decisions.

Virtual-screening methods and evaluation →

Scientific Data Systems & Public Software

Public software you can inspect.

Metadata transformation, RNA-seq quality control, and reproducible analytical workflows, alongside clearly labeled research prototypes.

Showing all 7 software projects.

MetaMorph

Turns inconsistent scientific metadata into validated, provenance-aware structured data.

I designed an agentic workflow in which a supervisor coordinates schema inference, parsing, refinement, and validation. Typed contracts, retries, run manifests, and column-level provenance keep LLM-assisted transformations reviewable and suitable for downstream scientific systems.

Public scientific AI software · v1.1Python · LangGraph · Pydantic

BulkQC

Makes bulk RNA-seq quality control consistent, reviewable, and accessible before downstream analysis.

I built a modular R Shiny data product that validates count matrices, aligns sample metadata, calculates library and detection metrics, applies variance-aware PCA, and exports review-ready results. Golem structure, CI, and testthat coverage move QC beyond an ad hoc notebook.

RNA-seq quality controlResearch software · CI + tests

Multi-Omics-Pipelines

Encodes repeatable omics processing so cohort analyses can move from raw reads to inspectable outputs.

I developed modular Nextflow workflow prototypes for RNA-seq processing from read trimming and FastQC/MultiQC through STAR alignment and featureCounts, alongside genome-assembly and single-cell experiments. The emphasis is portable execution, explicit stages, and reproducible handoffs.

Scientific workflowsPortable, staged workflow prototypes

BroadHackathon2025

Tests whether experimental context improves bioactivity prediction beyond chemical structure alone.

In a collaborative Broad hackathon prototype, we integrated cell type, assay format, and readout metadata with molecular descriptors, then compared biologically informed QSAR strategies for IC50 prediction.

Context-aware QSARCollaborative research prototype · Broad hackathon

Drug_Discovery

Explores target-specific QSAR modeling and compound prioritization from public bioactivity data.

Applies ChEMBL data, RDKit descriptors, and machine learning to model compound bioactivity against targets such as SARS-CoV 3C-like proteinase.

Cheminformatics workspaceIndependent research workspace · cheminformatics

GCN_scRNA

Combines spatial structure and gene expression to classify cancer-annotated and other tissue spots.

In a six-person University of Michigan course project, I co-implemented, optimized, and trained a three-layer GCN. It reached AUC 0.91 on a stratified spot split. This is not validation of patient-level metastasis prediction; the report identifies class imbalance and external validation as limitations.

Spatial graph MLCollaborative course project · contribution documented

SingleCell_VAE

Tests whether a time-aware latent model preserves biological progression in single-cell expression data.

Uses a custom KL objective centered on capture time to shape a 10-dimensional latent space across 14,717 cells and 3,815 expression features, with paired UMAPs comparing true and posterior time structure.

Single-cell representation learningExploratory course project · model + visual evidence

Technical Expertise

Research infrastructure in service of biological decisions.

The stack matters because it makes analytical decisions reproducible, testable, and easier to review across scientific teams.

Computational biology context

  • Functional genomics, CRISPRi, and perturbation screening
  • Target discovery, mechanism of action, and candidate prioritization
  • Multi-omics, spatial transcriptomics, and biomarkers
  • Experimental design and translational interpretation

Scientific data engineering

  • Python, R, SQL, Bash, APIs, and structured data products
  • Containers, CI, automated testing, and portable execution
  • HPC and cloud computing across AWS and Azure
  • Data integration, workflow orchestration, and provenance

Machine learning & evaluation

  • Representation learning and graph neural networks
  • Virtual screening and scaffold-aware model evaluation
  • Selection-algorithm design and biological benchmarking
  • PyTorch, scikit-learn, and reviewable evaluation

Scientific AI applications

  • Biological knowledge graphs and data integration
  • RAG/LLM workflows and agentic AI systems
  • Typed outputs, validation contracts, retries, and manifests
  • MCP tools, traceable evidence, and human review

Collaboration

Building scientific AI or research data infrastructure?

I am interested in systems where biological context, model evaluation, validation, provenance, and scalable delivery all matter.

Contact Michael