Computational Scientist (Medicinal Chemistry)

Axiom
San Francisco, CA

Charter:

Be a founding member of a team setting out to build the first accurate AI systems for replacing lab and animal toxicity experiments with AI models

What are we looking for:

We only want to hire people who deeply inspire us and relentlessly push us to be better. They must level up the entire team, bringing significant energy and a sense of awe. They should have great taste for what matters, see what needs doing, and do it with great urgency. They should just act. There must be a deep curiosity for all facets of Axiom, a greater ambition fueling their excitement for what we do. They need to be cracked, technically excellent, obsessive masters of their craft. They're irrational; they could work in big tech, but they know it will not satisfy them: they want the challenge of solving a brutally difficult scientific problem and building a generational company from the ground up, as well as the rewards and glory that will come as a result.

What you will be doing:

  • Lead the development of AI models for predicting human clinical outputs by analyzing model outputs to pinpoint high-performing and underperforming use cases.
  • Collaborate with machine learning researchers to drive the development of cutting-edge models for predicting human clinical outcomes.
  • Direct model usage, interpretability, refinement, and improvement.
  • Clean, curate, and process large-scale chemistry datasets spanning many unique compounds for model evaluation, training, and more.
  • Partner directly with top drug hunters at Pfizer, Takeda, Gilead, Merck, and others to interpret model predictions and accelerate decision-making.
  • Design new strategies to expand our experimental and molecular dataset intelligently—driven by data, ML performance, and real-world drug hunter usage.
  • Influence active drug programs and play a role in evolving how the world’s leading pharma teams develop safe, effective medicines.
  • Help shape Axiom’s product based on customer feedback and insights you uncover from speaking and developing relationships with the world's leading drug hunters.

Expertise which sparks our interest:

  • Likely either has an advanced degree in chemistry, cheminformatics, or computational chemistry, or has industry experience at a drug discovery company.
  • Might identify as a ML for chemistry researcher, computational chemist, medicinal chemist, or cheminformatics scientist.
  • Experience working with drug hunters on advancing real drugs towards the clinic.
  • Deep understanding of the current limitations of preclinical models and a passion, vision to make them extremely better.
  • Presentation and soft skills with the ability to own customer relationships and partnerships with both biotech companies and big pharma.
  • Coding and statistics background: should be comfortable with python, with cheminformatics libraries like rdkit and datamol, scientific computing libraries like numpy, and ideally also with data processing (SQL, pandas, basic cloud computing).
  • Experience analyzing massive chemical datasets and diving conclusions based on data science and chemistry.
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Posted 2026-01-15

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