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Dayhoff Labs

AI-driven molecular design and simulation

AI Research Scientist

AI ResearchConfirmed live in the last 24 hours
Full-timeNo salary listedIn-person

About the Job

Requirements

  • Demonstrated experience training large models end to end, including the ability to discuss in detail what broke and how it was fixed.
  • Strong machine learning engineering fundamentals, including architectures, training dynamics, data pipelines, and evaluation.
  • Prior experience working directly on a chemistry, biology, or related physical-science problem.
  • Ability to communicate complex technical concepts clearly to colleagues whose first language is biology or chemistry rather than AI.

Responsibilities

  • Train large models across enzyme–substrate prediction, neural network potentials, and inverse design of reaction networks.
  • Own models end to end, including architecture, data pipelines, training, debugging, and evaluation.
  • Work directly with chemists and biochemists and translate between the two fields fluently.
  • Fold new data into each iteration.

Desired Qualifications

  • Experience in machine learning for chemistry or biology, such as neural network potentials, graph neural networks, protein models, or reaction models.
  • PhD in a quantitative field is highly preferred, though depth matters more than credentials.

About the Company

Dayhoff Labs

AI-driven molecular design and simulation

Dayhoff Labs develops AI models and computational platforms to solve complex problems in chemistry, biochemistry, and synthetic biology. Its tools help researchers design, optimize, and simulate molecules such as enzymes and catalysts, enabling faster discovery and more sustainable chemical processes. By combining machine learning, computational chemistry, and laboratory work, it offers machine-assisted workflows that integrate experimental data and collaboration with researchers, with a strong emphasis on open science. The company aims to shorten discovery timelines, reduce costs and environmental impact, and broaden access to AI-powered molecular design for academia and industry.

Company size
11-50
Company stage
Not listed
Total funding
Not listed
Headquarters
Boston, MA
Founded
2022

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