Senior Machine Learning Scientist, ML Research

Atomwise is a technology-enabled pharmaceutical company leveraging the power of AI to revolutionize small molecule drug discovery. The Atomwise team invented the use of deep learning for structure-based drug design; this technology underpins Atomwise’s best-in-class AI discovery engine, which is differentiated by its ability to find and optimize novel chemical matter. Atomwise has extensively validated its discovery engine, delivering success in over 185 projects to-date including a wide-variety of protein types and numerous “hard-to-drug” targets. Atomwise is building a wholly owned pipeline of small-molecule drug candidates, with three programs in lead-optimization and over 30 programs in discovery. The company has raised over $174 million from leading venture capital firms to advance its mission to make better medicines, faster.

The Atomwise Machine Learning Research & Cheminformatics group works on solving challenging machine learning problems for small-molecule drug discovery and development. We have a dynamic and stimulating work environment that encourages creativity, innovation, and problem-solving. We believe that our success is driven by the quality of our team, and we are committed to providing a supportive and inclusive workplace where all employees can thrive. 

About the role

We are looking for a Senior Machine Learning Scientist to join our ML Research team. The team designs and implements the deep learning systems that power our discovery and development pipeline with a focus on foundational research. As part of a dynamic R&D team, you will interact daily with other machine learning scientists/engineers, computational chemists, biologists, software engineers, data scientists, and cheminformaticians.

Key Responsibilities

• Design/identify, implement, and validate state-of-the-art deep learning systems., with applications in molecular property and bioactivity prediction, virtual screening of ultra-large chemical libraries, de novo design, and lead optimization.

• Use your machine learning expertise in the development of strategies that address challenges at the forefront of structural biology and computational chemistry.

• Take lead on publishing and presenting cutting-edge research in high-impact journals and international conferences.

Required Qualifications

• Ph.D. in Computer Science, Mathematics, Statistics, Cheminformatics, Computational Chemistry/Physics/Biology, or a related quantitative discipline.

• Expert machine learning research skills, demonstrated by a strong publication record at leading conferences or journals, or other substantial contributions to the field.

• Strong analytical and statistical skills.

• Scientific rigor, healthy skepticism, and detail-orientation in developing and analyzing machine learning models.

• Expert knowledge of the Python machine learning frameworks, e.g., PyTorch or TensorFlow.

• 4+ years of experience in academic or corporate research

• Comfortable with Linux command-line environment.

• Pro-active team player and creative problem solver.

Preferred qualifications

• Expertise in one or more of the following areas: geometric deep learning, generative modeling, self-supervised learning, and reinforcement learning. We are especially excited about candidates who have successfully applied these methods to problems in or adjacent to drug discovery.

• Proficiency in developing and implementing deep learning systems, with the ability to translate research code into robust, efficient, and scalable production-quality code.

• Domain knowledge and awareness of open challenges in AI-driven drug discovery.

If you're excited about making a significant impact on the future of drug discovery, we encourage you to apply today!

Compensation & benefits

• Competitive salary, commensurate with experience

• Stock compensation plan – you’ll be an Atomwise co-owner

• Platinum health, dental, and vision benefits for you and your dependents

• 401(k) retirement plan with generous company match (up to 4%)

• Flexible paid time off (PTO), 13 paid holidays, and wellness breaks for employees to spend time with their loved ones and recharge

• Health Savings and Flexible Spending Account options to help save money on healthcare, daycare, and commuting

• Employee Assistance Program (EAP) and Pet Insurance

• Funding for professional development and conference attendance

• Flexible work schedule

• Generous paid parental leave

• High performance culture

• Great colleagues

Atomwise is an equal opportunity employer and strives to foster an inclusive workplace.  Our mission is to develop better medicines faster, and we know that we need a diverse team to develop medicines that serve diverse populations.  Accordingly, Atomwise does not make any employment decisions (including but not limited to, hiring, compensation, and promotions) on the basis of race, religion, color, national origin, gender, gender identity, sexual orientation, age, veteran status, disability status, or any other characteristics protected by applicable federal, state, and local law.

We strongly encourage people of diverse backgrounds and perspectives to apply.

Pay range for this role is between $205,000 - $235,000