Senior Computational Chemist (CADD)

Atomwise is a leading artificial intelligence (AI) drug discovery company in San Francisco, CA. We develop and use patented AI technology to help companies and universities discover and develop small molecules that will improve human health and agricultural productivity. We are looking for a senior computational chemist (CADD) to join our production team. The production team is in charge of identifying customer needs, implementing the most suitable solution, executing projects using Atomwise technologies, and communicating results.

Our customers are scientists; you should be, too. Results should be considered guilty until proven innocent: sanity checking, skepticism, problem-solving, analysis, and investigation are our constant companions. You should be comfortable discussing and reasoning about projects with the precision necessary to deliver what the customer needs, and possess enough clear articulable pragmatism to get things done even in the face of inevitable and unavoidable ambiguity.

You will

  • Interact with customers to understand their project requirements.
  • Generate and analyze predictive results, and deliver these to our clients.
  • Communicate our results and capabilities through scientific publications.
  • Analyze, curate, and automate the processing of our biochemical databases.
  • Help to develop our modeling software.


  • Ph.D. in chemistry, biology or a related field.
  • Extensive knowledge of medicinal chemistry.
  • Minimum 3 years of experience in lead optimization at a pharmaceutical company.
  • Experience in Computer-Aided Drug Design: structure/ligand-based drug design, molecular docking, virtual screening, QSAR, pharmacophore modeling, PK/PD data analysis and modeling.
  • Comfortable on the Linux command-line.
  • Undergraduate knowledge of statistics.


  • Good knowledge of Python, Perl, Bash, or related scripting languages.
  • Statistical modeling.
  • Experience with cloud computing environments (AWS/Azure/GCE).

Compensation & benefits

  • Competitive salary, commensurate with experience.
  • Stock compensation plan – you’ll be an Atomwise co-owner.
  • Platinum health, dental, and vision benefits.
  • 401k with 4% match.
  • Generous parental leave.
  • Flexible work schedule.
  • Great colleagues.

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

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