De Novo Design Validation & Learning Advisor

Lilly; San Diego (CA); On-site; USD 168,000 - 268,000; Full time

Benefits offered by this job

401(k) program

Health/dental/vision benefits

Vacation benefits

Well-being benefits

Employee clubs and activities

Job summary

Lilly’s Biotechnology Discovery Research (BioTDR) in San Diego is expanding a generative design platform that combines AI/ML, protein engineering, automation, and structural biology to design novel therapeutics with enhanced activity and developability. The role advances de novo design and rapid evaluation using LillyPod GPU resources.

The team collaborates across computational and experimental sciences to translate discoveries into medicines, with a focus on robust data pipelines and continuous

Qualifications

• Ph.D. in computational biology, biophysics, computational chemistry, bioengineering, chemical engineering, physics, statistics, or a related STEM discipline.
• Proficiency in Python and the scientific computing stack, version control, and reproducible analysis.
• Working knowledge of statistics, uncertainty quantification, regression, agreement metrics, calibration, and experimental design.

Responsibilities

• Evaluation analysis: Assemble held-out datasets, compare predictions with outcomes, quantify uncertainty, and identify patterns to inform design improvements.
• Biophysical calculations: Run molecular simulation, energy- and structure-based analyses for stability and developability.
• Data pipelines: Build reproducible workflows preserving design, sample, assay, and metadata.
• Experimental partnership: Collaborate with protein science and automation to plan informative data-generation studies.
• Closed-loop learning: Integrate outcomes into datasets and data products for model iterations.
• Scientific communication: Present findings and uncertainties clearly to computational and experimental teams.

Skills

Python proficiency

Statistics knowledge

Data analysis

Scientific computing

Education

Ph.D. in computational biology or related STEM

M.S. with 3+ years

B.S. with 5+ years

Tools

OpenMM

GROMACS

Amber

Rosetta

Schrödinger

Snakemake

Nextflow

Job description

Lilly’s Biotechnology Discovery Research (BioTDR) in San Diego is expanding a generative design platform that combines AI/ML, protein engineering, automation, and structural biology to design novel therapeutics with enhanced activity and developability. The role advances de novo design and rapid evaluation using LillyPod GPU resources.

The team collaborates across computational and experimental sciences to translate discoveries into medicines, with a focus on robust data pipelines and continuous