Remote Senior/Staff Scientist, Cheminformatics & Data Science

Description:

• Deep Origin is seeking a Senior or Staff Scientist with strong expertise in cheminformatics, machine learning, and drug discovery to join a groundbreaking initiative funded by ARPA-H.
• This position offers a rare opportunity to help define and deploy scalable computational models for predicting protein-ligand binding, enabling next-generation therapeutics.
• The successful candidate will work with a multidisciplinary team of scientists and engineers to lead ligand- and structure-based modeling efforts, contribute to data curation, and develop high-performing predictive models that accelerate molecular design.

Requirements:

• A Ph.D. in cheminformatics, computational chemistry, chemical biology, or a related field is required.
• The candidate must have 2+ years of industry experience in drug discovery or pharmaceutical data science.
• Deep familiarity with protein-ligand interactions, protein structure handling, and ligand representations is essential.
• Strong proficiency in Python, with hands-on experience using RDKit, scikit-learn, PyTorch, or similar frameworks is necessary.
• A strong foundation in ML model development, validation, and interpretability is required.
• Nice to have: Experience working with DNA-encoded libraries datasets, including data quality control and preprocessing.
• Nice to have: Exposure to protein structure analysis, scoring functions, or ligand docking workflows (e.g., AutoDock Vina, etc.).
• Nice to have: Familiarity with cloud platforms (AWS, GCP) and workflow orchestration tools.

Benefits:

• Deep Origin offers a remote-friendly environment with hubs in the US and Armenia.
• The position includes competitive compensation and equity packages.
• Flexible schedules are provided to accommodate work-life balance.
• The company fosters a culture that encourages curiosity, autonomy, and creative problem-solving.