Atomic AI, Inc. is a well-funded, early-stage biotech company transforming the rational design of molecules and medicines through the cutting-edge fusion of artificial intelligence and structural biology. Atomic’s unique R&D platform, based on research featured on the cover of Science, provides new strategies to treat or cure previously undruggable diseases by targeting RNA structure. We are an interdisciplinary team working across computational and experimental biology and believe that our strongest asset is our people.

The opportunity

As a full-time Scientist on the Machine Learning team, you will work closely with engineers and experimental scientists to advance our R&D technology platform for RNA structure prediction, target identification, and early drug discovery. You will co-lead the development and evaluation of the machine learning pipeline. You will contribute new ideas and realize their potential as part of a continuously advancing state-of-the-art platform. You will proactively shape the directions of the machine learning efforts and those of the whole company. 

At Atomic AI, you will be an execution-focused self-starter with a passion for scientific research and a positive attitude when facing challenges. You will prioritize effectively amidst complexity, adapt nimbly to changing conditions, and grow outside of your comfort zone. You will collaborate thoughtfully and promote the success of all team members.

Primary responsibilities

  • Design and develop novel machine learning models for RNA structure prediction and drug targeting.
  • Evaluate and advance the state of the art of our structure prediction platform.
  • Collaborate with the biosciences team on the targeted acquisition of experimental data to improve our machine learning models.
  • Develop high-quality code in a team setting.
  • Work with the engineering team for model training and deployment and guide the data pipeline development.
  • Analyze, interpret, and organize results and present progress to colleagues in regular research meetings.
  • Work within a collaborative, high-caliber, interdisciplinary team and proactively shape the scientific and strategic vision of the company.

About you

  • Ph.D., M.Sc., or M.Eng. in Computer Science, Physics, Applied Mathematics, Materials Science, Computational Biology, or related field.
  • 3+ years of experience developing machine learning methods for scientific applications.
  • Foundational knowledge of machine learning and underlying mathematical concepts.
  • Proficiency in Python and deep learning frameworks (e.g., PyTorch).
  • Excellent presentation and writing skills, able to clearly communicate technical information to colleagues.


  • Publications at major machine learning conferences or in major scientific journal
  • Research experience related to structural biology, molecular design, and drug discovery.
  • Foundational knowledge of physics, chemistry, and molecular biology.
  • Demonstrated ability to develop performant code.

Atomic AI is committed to equal employment opportunity regardless of race, color, ancestry, national origin, religion, sex, age, sexual orientation, gender identity and expression, marital status, disability, or veteran status.

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