Job Description

Join an excellent team of researchers dedicated to coming closer to the mission of St. Jude Children's Research Hospital, that no child will die at the dawn of life. The Quantum AI for Bio (QAI4Bio) Lab led by Dr. Christoph Gorgulla in the Center of Excellence for Data-Driven Discovery in the Structural Biology Department seeks a skilled and highly motivated deep learning engineer with strong expertise in geometric deep learning . Our research group is focused on developing state-of-the-art computational methods for ligand/drug discovery, using machine learning, high-performance/cloud computing, and quantum chemistry and quantum computing. Our group also includes a wet lab dedicated to experimentally verifying the computationally predicted results in real-world drug discovery projects.

We are seeking a highly motivated computational researcher with deep expertise in machine learning and geometric deep learning. You will join an interdisciplinary team to push the boundaries of what’s possible at the intersection of artificial intelligence and molecular modeling, building novel AI systems to advance discovery in chemistry, ligand discovery, and quantum approaches.

The successful candidate will have the opportunity to lead collaborative projects, mentor junior scientists and students, and contribute to high-impact publications. By working together in a collaborative and intellectually stimulating environment, you will have the opportunity to make a lasting impact on the lives of children fighting cancer and other life-threatening diseases.

The position can either be a staff scientist (Computational Researcher) or a Postdoc, depending on the preference of the candidate.

Key Responsibilities:

• Develop and optimize deep learning architectures for problems in molecular modeling (e.g. drug discovery and/or quantum chemistry)
• Work extensively with complex 3D data (e.g., involving small molecules, proteins, and their interactions, using geometric representations like graphs and point clouds)
• Collaborate with computational chemists, structural biologists, and experimental scientists within the QAI4Bio Lab and the broader Structural Biology Department.
• Collaborate closely with domain scientists to define impactful research directions and translate theory into practice
• Contribute to large-scale computational pipelines for tasks such as molecular property prediction, drug discovery, or quantum circuit design
• Publish high-quality research in top-tier journals and conferences
• Work with colleagues to deploy models into production research platforms or scientific software tools

Required Qualifications:

• Proven hands-on experience (3+ years preferred) in deep learning research and development, specifically with a strong emphasis on geometric deep learning.
• Demonstrated expertise in applying geometric deep learning to 3D data, such as experience with: Graph Neural Networks (GNNs) for molecular graphs, deep learning on 3D point clouds or volumetric data for molecular structures, and/or understanding of molecular descriptors and featurization for deep learning.
• Proficiency in deep learning frameworks such as PyTorch or TensorFlow.
• Excellent programming skills in Python.
• Ability to work independently in a fast-paced, interdisciplinary environment

Preferred Qualifications:

• PhD in Computer Science, Chemistry, Physics, Engineering, or a related discipline.
• Familiarity with molecular modeling software (e.g., RDKit, OpenBabel) and/or structural biology concepts is highly desirable.
• Experience with cloud or HPC environments and GPU-based training pipelines
• Record of publications in AI/ML and physical sciences journals or conferences
• Familiarity with quantum/chemistry software

About St. Jude

St. Jude Children’s Research Hospital is a world-class research institution dedicated to pediatric cancer and other catastrophic diseases of childhood. The first and only National Cancer Institute (NCI)-designated Comprehensive Cancer Center devoted solely to children. Our 300 faculty work across the spectrum of basic, translational, clinical, and population science in a highly collaborative multidisciplinary environment that includes a Nobel laureate and members of the National Academy of Science and the National Academy of Medicine. St. Jude is ranked on Fortune Magazine’s “Best Workplaces in Health Care & Biopharma” and Glassdoor’s “Best Places to Work”. St. Jude is one of the best-funded research institutes in the US with an annual budget of over $2 billion per year ( ).

Working at St. Jude is a remarkable and special experience in many ways.

• Mission: At St. Jude, working is more than just a job — it's a calling. Each member of St. Jude is united by a shared purpose: finding cures and saving children. In addition to the meaningful work you will undertake, we offer a range of perks to enhance your experience.
• Community and Belonging: St. Jude is like a warm family that welcomes you, to a large part because it is a Children’s hospital. It provides an exceptionally warm and friendly atmosphere. St. Jude also fosters a vibrant scientist and postdoc community that supports a well-balanced life. A dynamic environment promotes connections and camaraderie among researchers from all backgrounds
• The Best of Both Worlds - Industry and Academia: St. Jude provides academic freedom in research and industrial efficiency and resources. We have access to world-class shared resources/facilities led by expert scientists, coupled with state-of-the-art technology and funding, accelerating research productivity.
• Benefits: St. Jude offers a world-class benefits package ( Enjoy comprehensive healthcare, a competitive salary, tuition assistance for continued education, and exceptional work-life balance with ample paid time off.
• Additional Perks: St. Jude offers many special perks, such as an on-site gym, an employee pharmacy, and many others. To learn more about the unexpected perks of working at St. Jude, visit our website at
• Professional and Career Growth: Experience specifically designed programs to enhance professional growth and career readiness empowering postdocs for success beyond their training. This includes access to grant writing workshops, individual development plans, teaching and mentoring opportunities, non-research career advancement programs, professional development allowance, and so much more. More information can be found at
• Diversity: St. Jude is dedicated to fostering an inclusive and diverse scientific community, where everyone’s contributions are valued. St. Jude Children’s Research Hospital has a diverse, global patient population and workforce, built on the principles of diversity, equity, and inclusion. Our founder Danny Thomas envisioned a hospital that would treat children of the world—regardless of race, religion, or a family’s ability to pay. Learn more about our history and commitment. Today, we continue the mission to advance cures and means of prevention for pediatric catastrophic diseases through research and treatment. As we accelerate this progress globally, we believe our legacy of diversity, equity, and inclusion is foundational to success. With the commitment of leaders at all levels of the organization, we strive to ensure the St. Jude culture, leadership approaches and talent processes are equitable and culturally responsive. More information is available here.

Top Employer

St. Jude was among the top 10 large employers in the US in 2024, ahead of Google, Microsoft and Apple:

Top Employer for Women: St. Jude is also among the top 10 employers for women in the US:

St. Jude Children’s Research Hospital is high school and college students’ top “dream employer,” according to the National Society of High School Scholars (NSHSS) 2018 Career Interest Survey.

About Memphis

St. Jude is located in the heart of Memphis, Tennessee, a vibrant and friendly city at the historic American crossroads of music, trade, food, and culture. Living in Memphis provides several unique advantages, including:

• Breathtaking Nature: Memphis provides unique nature and scenery, such as the Mississippi (the largest river in the US) or Shelby Farms Park, with which 4,500 acres is one of the largest urban parks in the country. See for more details.
• Its Culture: It is for instance the home of Elvis Presley. See for more details on the cultural aspects.
• It’s Affordability: Memphis is one of the most affordable cities in the US, meaning the same income will bring you farther than in other places in the US (for more details, see

Work Location

We highly value the dynamic and collaborative environment fostered by in-person or hybrid work arrangements, which allows for seamless direct engagement and deep team synergy. In exceptional cases, we are also open to exploring fully remote work, with regular periodic travel to our Memphis campus for essential meetings and key collaborative sessions."

Application

You can apply here on LinkedIn via the job posting. Please submit the CV in PDF format, and name it " - CV.pdf".

Optional (but preferred): Add a cover letter to the CV in one combined PDF, and name the document " - CL + CV.pdf".

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