Cheminformatics Senior Scientist, ADME

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.

Do you enjoy interdisciplinary challenges where your contributions have real-world impact? Then join us!

We value a collaborative and transparent culture that fosters scientific and technical discussion. We strongly believe that data wins over opinions and aim for as little dogma as possible in our decision making. Our team members have expertise in a wide range of disciplines – from computational chemistry and structural biology to cloud-native best practices – and we regularly have internal seminars open to anyone interested in learning about these topics.

About the role

We are looking for a Cheminformatics scientist with strong experience in QSAR and ADME/Tox modeling, data curation, data analyses, and potency predictions to join our Machine Learning Research & Cheminformatics team. The team is relatively small, with significant opportunities for career advancement and direct impact on our success.

You will

• Build high-quality QSAR/QSPR models to support internal drug discovery efforts.
• Be a key contributor to our machine learning algorithms for late-stage compound optimization.
• Identify data sources for ADMET data and write code to ingest these data sources with a focus on data correctness and scalability.
• Develop custom scientific tools for discovery teams.
• Automate data science processes and data analyses.
• Use your drug discovery background and insights to collaborate across the R&D organization on a diverse range of projects.
• Communicate well and work with other scientists and software engineers to build our late-stage optimization program.
• Help maintain Atomwise’s scientific presence with conference presentations and publications.

Required Qualifications

• Ph.D. in Chemistry, Computational Chemistry, Physics, or life sciences, with 5+ years of industry and/or post-doctoral experience.
• Strong understanding of the field of Cheminformatics both scientifically and its applications in drug discovery.
• Hands-on experience with common data science software stacks (e.g., Python, Jupyter notebooks, scikit-learn, RDKit, git, AWS, etc.) and using best practices.
• Familiarity with machine learning/deep learning models.
• Strong experience in navigating the interplay between data quality, quantity, diversity, statistics, and machine learning model development.
• Strong coding skills in Python.
• Experience in tool and algorithm development for drug discovery teams.
• Ability to work with people from diverse disciplines within cross-functional teams.
• Excellent communicator.
• Detail-oriented with a relentless focus on quality.

Preferred Qualifications

• Good understanding of the principles of ADME/Tox in drug discovery and development.
• Good understanding of ADME/Tox-related experimental assays and their interpretation.
• Experience supporting drug discovery scientists, preferably in a Pharma or Biotech setting.
• Machine Learning/Deep Learning frameworks, e.g., PyTorch.
• Examples of scientific tool development.
• Experience using databases.
• Out-of-the-box thinker and innovative problem solver.
• See the big picture, contribute, and drive it.
• Independently identify needs and projects.

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
• Possible hybrid or remote

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.

Atomwise is not currently offering visa sponsorships for any position. Please only apply if eligible to work in the U.S.

Pursuant to the San Francisco Fair Chance Ordinance, we will consider for employment qualified applicants with arrest and conviction records.

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