Artificial intelligence for drug discovery.

Principal Cheminformatics Scientist

San Francisco
Job Type
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About the role

Atomwise is the leading artificial intelligence (AI) drug discovery company, based in San Francisco, CA. We discover and develop small molecules that will improve human health and agricultural productivity. 

Every day we're breaking new ground in developing and applying leading-edge machine learning methods to pre-clinical drug development. This is an opportunity to apply your skills (and learn new ones!) at the intersection of chemical/biological sciences, data science, machine learning, and software development. 

We are looking for a principal cheminformatics scientist with strong algorithm development skills to join our ml.cheminfo team. This role is focused on developing software and tools to support small molecule drug discovery through hit-to-lead and lead-opt stages. You will be designing and developing cheminformatics algorithms, analyzing massive small molecule datasets, and conducting novel drug discovery research. As part of the R&D team, you’ll interact daily with computational chemists, software engineers, machine learning scientists, and fellow cheminformaticians.  

Required qualifications

  • Ph.D in Computer Science, Statistics, Cheminformatics, Bioinformatics, Computational Biology, or a related discipline
  • Strong computer science fundamentals
  • 7+ years experience in complex algorithm development
  • Sound knowledge of chemistry, statistics, data analytics, and data visualization
  • Understanding the fundamentals of biomolecular interactions and molecular design
  • Molecular modeling experience in one or more of the following: docking, virtual screening, pharmacophore modeling, QSAR, structure or ligand-based modeling
  • Strong coding skills in at least one high-level programming language (Python, R, Java, C++, etc)
  • Strong familiarity with Linux command-line environment

Preferred qualifications

  • 2+ years of experience as a technical team lead
  • Previous experience in a drug discovery environment
  • Experience in implementing and applying machine learning algorithms
  • Experience working with scalable algorithms utilizing large amounts of data
  • Experience with cloud computing environments (AWS/Azure/GCE)
  • Experience with relational databases and/or NoSQL databases

Compensation & benefits

  • Great colleagues
  • 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
  • Funding for professional development and conference attendance
  • Generous parental leave
  • Flexible work schedule

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.

Why you should join Atomwise

Atomwise Inc. patented the first deep learning technology for structure-based small molecule drug discovery. This AI technology harnesses millions of data points and thousands of protein structures to solve problems that a human chemist would take many lifetimes to solve. Atomwise has partnered with some of the world's largest pharmaceutical and agtech companies and with more than 100 leading academic institutions and hospitals, to tackle the challenges of discovering and developing better drugs and agrochemicals. Atomwise has raised over $50 million from leading venture capital firms to support the development and application of its AI technology.

Team Size:50
Location:San Francisco
Abraham Heifets
Abraham Heifets
Izhar Wallach
Izhar Wallach