Member of the Technical Staff, Cheminformatics
New York HQ
Full Time
16 hours ago
Senior LevelWorldwide
Over $120K

USD per year

Job Description

The Role

Output has built a biological reasoning model that understands biology at the scale and complexity life actually operates. Our model independently learned the principles of molecular interactions, opening up drug treatments that were previously impossible. We're already generating therapies that traditional approaches cannot reach. The hardest problems in both AI and biology are being solved here, and there is room for you to own one. Output is currently in stealth, operated by a team of repeat founders and biotech veterans with multiple exits in AI x Bio, and backed by top-tier VCs including Y Combinator. You accelerate the path from a generated molecule to a synthesized compound. This role continues to build the models and computational methods that optimize Output's molecular generation for practical chemistry. You will continue developing and training models that incorporate knowledge of chemical synthesis routes and reactions, steering molecular generation toward molecules that are efficient to synthesize You will build scalable computational tools and methods that evaluate synthetic feasibility across generated molecular libraries, systematically and at scale You will interpret model inputs and outputs in chemistry terms, translating between the language of generative AI and the language of synthesis You will work with the drug discovery and model teams, bringing chemistry expertise to molecular evaluation and candidate prioritization You will build and maintain cheminformatics pipelines for molecular analysis, property calculation, and candidate assessment

About You

You have a PhD in chemistry, computational chemistry, cheminformatics, or a related field with 2+ years of post-doctoral or industry research experience, or a Master's degree with 5+ years of hands-on experience in computational chemistry or cheminformatics You have deep understanding of organic chemistry, synthetic routes, and chemical reactions You have experience training machine learning models on molecular and chemical data, including generative models for chemistry applications You have strong programming skills in Python, with experience building computational pipelines for molecular analysis You understand drug-like properties and medicinal chemistry principles, and how molecular structure relates to biological activity and synthetic feasibility You are comfortable working at the boundary of chemistry and machine learning, translating constraints and insights between the two

Bonus Points:

  • Experience with retrosynthetic analysis or computational synthesis planning.
  • Experience with molecular property prediction or QSAR modeling.
  • Publications at top-tier venues (NeurIPS ICML ICLR) or relevant chemistry/cheminformatics journals.
  • Drug discovery experience (hit-to-lead or lead optimization).
  • Experience evaluating/working with generative molecular models.

Company Values:

  • Heart: culture of ownership & passion.
  • Excellence: commitment to highest standards.
  • Practicality: results-oriented impact on patients/community.
  • Honesty: openness & transparency in addressing issues.
  • Fun: creating a fun engaging workplace.

What We Offer:

  • Encouragement of new ideas creativity contrarian thinking.
  • Healthy feedback environment leadership support growth opportunities.
  • Ownership of day-to-day management focusing on milestone achievement.
  • Competitive salary equity well-funded startup.
  • Excellent medical dental vision coverage.
How to Apply
About Output Biosciences

Output Biosciences is pioneering Biologically-Aware Generative AI to understand complex biological systems. They build Large Biological Models that generate breakthrough medicines using a generative AI architecture capable of handling extremely long, nonlinear, fragmented, and high dimensional biological data. Their team includes repeat founders of AI-driven biotech startups, physicians, researchers in computational systems biology and nonlinear dynamics, and experienced biotech executives and investors.

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