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Senior Cheminformatics Scientist



San Francisco, CA, USA · San Francisco Bay Area, CA, USA · Remote
Posted on Thursday, August 24, 2023

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 an experienced Cheminformatics Scientist to join our “Machine Learning Research & Cheminformatics” team with a focus on method development for automated, AI-driven lead generation. The team is relatively small, with significant opportunities for career advancement and direct impacts on our success.

You will

  • Work on exciting drug discovery challenges that will help shape our early discovery optimization programs.
  • Develop, use, and benchmark generative AI and other tools for analog creation.
  • Create rigorous, statistically validated compound selection algorithms leveraging predictive AtomNetⓇ and ADMETwise models.
  • Guide innovation around small molecule computational design and optimization.
  • Develop custom scientific tools for discovery teams.
  • Partner with software engineering to productionize scientific tools.
  • Use your drug discovery background and insights to collaborate across the R&D organization on a diverse range of projects.
  • Help maintain Atomwise’s scientific presence with conference presentations and publications.

Required Qualifications

  • Ph.D. in Chemistry, Computational Chemistry, Computer Science, Physics, Engineering, or related.
  • 3-5 years of industry and/or post-doctoral experience.
  • Excellent understanding of the field of Cheminformatics both scientifically and algorithmically, and its applications in drug discovery.
  • Excellent understanding of applied statistics and data science.
  • Experience in applied ML and modern AI methods.
  • Strong coding skills in Python.
  • Hands-on experience with common data science software stacks (e.g., Python, Jupyter notebooks, scikit-learn, RDKit, git, AWS, etc.) and using best practices.
  • Experience in scientific 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

  • Experience supporting drug discovery projects, preferably in a Pharma or Biotech setting.
  • Experience with lead generation.
  • Maintain and optimize scientific software that scales to 100s of millions of compounds and beyond.
  • Experience using databases.
  • Out-of-the-box thinker and innovative problem solver.
  • See the big picture, contribute, and drive it by identifying needs and projects.
  • Enthusiasm for advancing computationally driven drug discovery.

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.

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 $185,000 - $213,000.