Life at Atomwise

We offer a scientific culture, great benefits, and plenty of opportunities to celebrate our successes as a team.

Atomwise is pioneering how machine learning and artificial intelligence is revolutionizing drug discovery. I am humbled by the diversity of our teams, and value how we collaborate, challenge, and support one another. Only together we can redefine how medicines that impact the quality of life of patients are developed.
Pieter Kwak, Associate Director, Biology
Atomwise's highly collaborative nature across all teams has kept me excited and motivated every day, and the people who make up Atomwise are both wonderful colleagues and great friends.

Justin Zhang, Associate Director, Commercial Strategy Pipeline and Analysis


We foster an environment where Atoms are able to break through boundaries. We cultivate the collaborative, mature and supportive culture that defines working at Atomwise.

Academic Environment
Data Driven
Opportunities for Growth
Professional and Supportive Colleagues

Our Teams

Machine Learning

Our machine learning team is solving the hardest and most meaningful problems in modern machine learning to discover new medicines. We invent new algorithms and model classes for extrapolation under non-stationary distributions, accuracy with extremely unbalanced classes, and robustness to systematically skewed and biased training data.


Our cheminformatics team brings together people with experience in software, data science, chemistry and biology to build the most accurate predictive models, the biggest and cleanest datasets, and the most precise and nuanced benchmarks for drug discovery.

Software Engineering

Our software engineering team is delivering practical impactful machine learning at scale. Atomwise completed the biggest chemical analysis for drug discovery in human history – testing over 12 billion molecules to find the best potential cure – and we need your help to scale up a few more orders of magnitude.

Marketing & Communications

Our marketing and communications team oversees brand, PR, communications, events, and all marketing efforts for the company through both traditional and digital channels. We tell compelling stories that raise awareness for our company and nurture our customers through their journey, establishing Atomwise and our portfolio of partners as thought leaders in AI-based drug discovery.

Computer-Aided Drug Design Modelers

Our multidisciplinary group of scientists comprises the most prolific drug design team in the world. We use machine learning to tackle more projects, with more research collaborators, on a wider diversity of diseases, across more countries, with a higher success rate than any other team in the world.


Our partnering team has scaled the impact of our technology across every disease area and major medicinal research effort in the world. Our team has pioneered new ways to partner with researchers in 40 countries and has democratized access to machine learning for drug discovery.

Company Operations

Our operations team enables the collaborative and supportive culture that defines working at Atomwise. Our team designs experiences, spaces, and processes that foster our high performance academic culture and strengthen our communication, alignment, and camaraderie as Atomwise scales.


Our people team attracts the talent that thinks outside the box and is the “right fit” for our company culture. We also develop our talent, the innovators, dreamers, the pharma and biotech pioneers that love what they do. We set the tone to establish our “one Atomwise” vision. We work in partnership to enable Atomwise to discover better medicines faster through the power of AI and improve a billion lives.

Great Benefits

We offer a comprehensive suite of benefits.

Full Medical, Dental, Vision
Flexible Spending
Generous Parental Leave
Commuter Benefits
Support for Professional Development

Strong #AtomBonds

Atoms work hard, but know the value of having a good time.

Become an Atom

Learn more about life at Atomwise or browse our current openings.

Careers At Atomwise Current Openings