AI Research Scientist
Dayhoff Labs
AI Research Scientist
Dayhoff Labs
AI-driven molecular design and simulation
We're reverse-engineering the origin of life — one of the great unsolved problems in science, and one we think AI finally makes tractable. Understanding this transition, from geochemistry to biochemistry, is what will let us orchestrate molecular networks and build systems that are more capable, adaptive, and efficient.
If we succeed, the applications are vast: catalysis, green synthesis, ab initio synthetic biology, programmable matter. Understanding and harnessing these processes could let ten billion of us thrive on this planet — and let life keep evolving beyond it.
We're a small, diverse team of AI engineers, computational scientists, and bench scientists. We ship fast and iterate quickly. Global team, HQs in Cambridge, MA and London, UK.
You'll design and train frontier models across biology and chemistry — molecular structure and dynamics, reactions, whole reaction networks. What your models predict decides what the wet labs run next; what the labs find decides your next model. We'll back an approach that might not work if the upside is large enough.
Train large models across three threads: enzyme–substrate prediction, neural network potentials, and inverse design of reaction networks
Own models end to end — architecture, data pipelines, training, debugging, evaluation
Work directly with chemists and biochemists, and translate between the two fields fluently
Fold new data into each iteration
Demonstrated experience training large models end to end, with the depth to discuss in detail what broke and how you fixed it
Strong ML engineering fundamentals: architectures, training dynamics, data pipelines, and evaluation
Prior experience working directly on a chemistry, biology, or related physical-science problem, combined with the ability to communicate complex technical concepts clearly to colleagues whose first language is biology or chemistry rather than AI
PhD in a quantitative field (common on our team, but depth matters more than credentials)
Experience in ML-for-chemistry or ML-for-biology (e.g., neural network potentials, graph neural networks, protein or reaction models)
We're able to sponsor visas for the right candidate.
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.
Explore more opportunities at Dayhoff Labs