Computational Scientist (Mass Spectrometry) at Axiom | San Francisco, California, USA | Rezi

Computational Scientist (Mass Spectrometry) at Axiom

Computational Scientist (Mass Spectrometry)

Axiom · San Francisco, California, USA

3 weeks ago

Computational Scientist (Mass Spectrometry)

Axiom · San Francisco, California, USA

25 days ago
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About the Role

Join Axiom as a founding team member and help build a technology ecosystem that will replace animal testing and reshape clinical trials through agentic systems that accurately predict human outcomes.

Responsibilities

  • Own major parts of Axiom’s computational mass spectrometry stack.
  • Analyze large-scale biological mass spectrometry datasets, primarily LC-MS/MS, across metabolomics, lipidomics, proteomics, and reactive metabolite workflows.
  • Build, improve, and scale computational pipelines for untargeted LC-MS/MS analysis.
  • Develop workflows for peak detection, alignment, normalization, annotation, batch correction, QC, feature filtering, compound identification, and downstream biological interpretation.
  • Turn raw mass spec data into model-ready representations for machine learning systems and mechanistic reasoning agents.
  • Work with biology, chemistry, ML, engineering, and lab teams to design, debug, and improve high-throughput LC-MS/MS assays.
  • Extract actionable biological insights from mass spec data.
  • Help build datasets that connect chemical structure, dose, exposure, cellular phenotype, biochemical state, and human toxicity outcomes.
  • Develop quality control systems for high-throughput mass spectrometry datasets.
  • Collaborate with ML researchers to build models that use mass spec features to improve toxicity prediction.
  • Investigate where mass spec helps explain model errors, reveals missing biology, or identifies mechanisms not visible from other data types.
  • Design new strategies for expanding Axiom’s mass spec data generation based on model performance, biological coverage, and customer needs.
  • Help make mass spectrometry data interpretable and useful to drug hunters, toxicologists, and Axiom’s internal AI agents.

Requirements

  • Combine mass spectrometry expertise, computational depth, and biological judgment.
  • Experience building computational workflows for untargeted LC-MS/MS metabolomics.
  • Experience using mass spectrometry data to answer real biological questions.
  • Understand the complexities of mass spec data, including missingness, batch effects, adducts, isotopes, retention time drift, annotation uncertainty, instrument artifacts, and biological confounders.
  • Comfortable moving from raw files to biological interpretation.
  • Ability to reason about metabolism, pathway disruption, lipid biology, protein changes, and drug-induced cellular stress.
  • Excited by the idea of using mass spec data as training data for AI systems.
  • Desire to build scalable infrastructure.
  • Care deeply about data quality, reproducibility, and scientific rigor.
  • Ability to work closely with wet lab scientists to improve experimental design and debug assays.
  • Desire for ownership over a critical scientific modality at an early company.
  • Motivated by the mission of replacing animal testing and preventing clinical toxicity failures.
  • Intense, curious, technical, and deeply motivated by the mission.
  • Desire for ownership, ambiguity, and responsibility.
  • Excited to build systems that turn complex biochemical measurements into AI models.
  • Move with urgency.
  • Have exceptional scientific taste.
  • See what needs doing and do it.
  • Care obsessively about data quality.
  • Can debug both code and experiments.
  • Comfortable living between biology, chemistry, instrumentation, and machine learning.
  • Want to build infrastructure that scales to massive datasets.
  • Not satisfied with standard pipelines when better approaches are needed.
  • Raise the bar for everyone around them.
  • Want to build a generational company.
  • Seeking a role with higher impact than typically found in big tech, academia, or pharma/biotech.

Skills

  • Python
  • Pandas
  • NumPy
  • SciPy
  • scikit-learn
  • Jupyter notebooks
  • MZmine
  • OpenMS
  • MS-DIAL
  • XCMS
  • GNPS
  • Skyline
  • ProteoWizard
  • MaxQuant
  • DIA-NN
  • Spectronaut
  • LC-MS/MS data formats (mzML, mzXML, RAW, mzTab, mzIdentML, mzQuantML, vendor-specific)
  • Peak picking
  • Chromatographic alignment
  • Feature grouping
  • Deconvolution
  • Annotation
  • Normalization
  • Batch correction
  • Metabolite identification workflows
  • Lipid identification workflows
  • Peptide identification workflows
  • Spectral libraries
  • Molecular networking
  • Fragmentation interpretation
  • Adduct/isotope handling
  • Confidence scoring
  • Statistical modeling
  • Dimensionality reduction
  • Clustering
  • Differential abundance analysis
  • Pathway enrichment
  • Large-scale data processing
  • SQL
  • Cloud computing
  • Workflow orchestration
  • Reproducible analysis pipelines

Location

  • Remote

Work Type

  • Full-time

Experience Level

  • Founding team member
  • Senior

About the Company

  • Axiom is building a compounding ecosystem to replace animal testing and, over time, reshape how clinical trials are run.
  • We deeply understand the needs of drug hunters inside large pharma, shaping the world-class datasets we build from scratch.
  • We use this data to advance our own ML research and collaborate with leading AI labs to improve frontier models’ ability to reason over Axiom’s data.
  • This creates a compounding loop: deeper customer understanding shapes data generation; better data improves models and infrastructure; stronger models expand capabilities; and these capabilities are deployed into pharma's drug discovery workflows.
  • Today, we focus on solving drug-induced liver injury through an integrated data and agentic system used by 7 of the top 20 pharma companies and several innovative biotechs.
  • Over time, Axiom will build the world’s largest human datasets across all major organ systems, paired with an agentic harness to predict human drug outcomes better than animals.