Cheminformatics Scientist

DeepOrigin is a biotechnology company redefining how therapeutics are discovered and developed. By combining AI, advanced scientific computing, and molecular simulation, we are creating a next-generation platform that transforms biological insights into actionable discoveries. Our goal is to significantly shorten the drug development timeline—from years to months—while enabling a deeper understanding of the mechanisms underlying diseases.

We are building an integrated ecosystem that unites physics, chemistry, biology, and machine learning to enhance the entire R&D lifecycle, from hypothesis to lead optimization. Supported by visionary leadership and strong funding, DeepOrigin is developing the computational platform for modern science, empowering researchers to work faster, think deeper, and ultimately extend the healthy human lifespan.

We are seeking a highly skilled and motivated Senior Cheminformatics Scientist to join our dynamic and interdisciplinary team. In this role, you will be responsible for developing, curating, and validating ADMET-related datasets, as well as designing, implementing, and benchmarking state-of-the-art ML models that integrate biology, chemistry, and data science to drive our drug discovery initiatives.

Requirements

• Ph.D. in Cheminformatics, Computational Biology, Bioinformatics, Computer Science, or a related field.
• 3+ years of experience in industry or academic positions focused on cheminformatics or drug discovery.
• Strong proficiency with RDKit or similar cheminformatics platforms, as well as scientific computing libraries and tools such as Biopython or Biotite.
• Experience working with public chemical and biological databases such as ChEMBL, PubChem, DrugBank, and Tox21, including data extraction and integration.
• Experience with Bash, Python, or other scripting languages used in scientific computing.
• Fluent English for collaboration with an international team.
• Ability to work on US time zones when needed.

Nice to have

• Proven track record of publications or impactful project contributions.
• Familiarity with AI/ML techniques and their application in molecular property prediction.
• Familiarity with Git-based workflow (e.g., GitHub workflow, trunk-based workflow, code review process).
• Knowledge of the Julia programming language.

Benefits

• Health insurance for you and your family
• Additional leave days added to your annual paid time off
• Collaborating with highly experienced professionals
• Salary with equity, including stock options after probation