Principal Investigator – Data Science


About TandemAI

TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure. We integrate proprietary AI-driven, high-performance computation with its efficient, large-scale in-house wet lab operations to deliver a turnkey drug discovery solution.

About the Role

The Principle Investigator of Data Science will play a key role in building and deploying the strategy and design of a state-of-the-art data science infrastructure that seamlessly integrates data from computational calculations and wet-lab experiments, and leverages that infrastructure in combination with advanced methods like machine learning to drive the rational design of therapeutics.

You will:

  • Collaborate with a world-class data science team and work closely with a multidisciplinary team of computational and medicinal chemists, biophysicists, and biologists to optimize our computational platform, guide synthesis decisions, and design experiments
  • Build machine learning and quantitative structure-activity relationship (QSAR) models for drug potency, ADMET, and physicochemical properties
  • Work collaboratively to apply and enhance computational infrastructure needed to drive our projects forward
  • Develop and deploy software tools that allow our scientists to easily access, and take full advantage of, experimental data and computational methodologies
  • Ensure that user interfaces to data are robust, well-designed, and secure


  • PhD or equivalent in Computer Science, Machine Learning, Cheminformatics, Computational Chemistry, or related quantitative fields with 6+ years post-PhD experience in the Pharmaceutical/Biotechnology Industry (or MS in one of these fields with 8+ years of related experience)
  • Hands-on experience with building efficient data infrastructures, manipulating and visualizing data, and managing databases
  • Solid understanding of statistics, medicinal chemistry, biological assays, drug metabolism, pharmacokinetics, pharmacodynamics, and toxicology
  • Extensive experience applying QSAR and machine learning models to drug discovery
  • Experience with small molecule chemistry toolkits like RDKit and OEChem, and machine learning frameworks like PyTorch and TensorFlow
  • Extensive experience working in command line interfaces and fluency in scripting programming languages e.g., scientific Python (numpy, scipy, scikit-learn)
  • Excellent written and oral communication skills, including an ability to explain complex ideas to non-specialists

At TandemAI, we are committed to building a world-class team whose culture is founded on collaboration, intellectual curiosity, trust, and respect. We firmly believe that our exceptional staff will be the key to our success and are committed to high standards and rigorous science. Because of this, we are prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare, a 401k, pre-tax commuter benefits, and a flexible work schedule.

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