Principal Scientific Engineer

Ten
63 Therapeutics is focused on improving human health by developing better, more durable therapeutics against cancer and some of the world's most lethal diseases. We are leveraging our proprietary in silico platform BEYOND to generate novel therapeutics to hit previously undruggable targets. We're pioneering an engineered approach to drug discovery by scaling quantum simulations and fusing them with generative chemistry to tackle previously undruggable, high-impact targets.

Our team of pioneering scientists, engineers, drug hunters and quantum chemists values passion, teamwork, out-of-the-box thinking and determination to solve even what seems impossible. We embrace diversity and are committed towards inclusion.

We are seeking an exceptional Principal Scientific Engineer to join our team of pioneering scientists, engineers, drug hunters and quantum chemists. This role requires a unique combination of deep scientific knowledge in chemistry or medicinal chemistry and expert-level C++ programming skills to build the computational infrastructure powering our BEYOND platform and generative molecular design capabilities. As a key technical liaison, you will bridge the gap between chemists, engineers, and drug designers, translating complex scientific requirements into elegant software solutions.

• Design and implement high-performance C++ software for generative molecular design, 3D molecular modeling, and drug discovery applications
• Lead the architecture and development of computational chemistry tools that enable novel therapeutic design against undruggable targets
• Collaborate with research scientists and quantum chemists to translate complex algorithms and methodologies into efficient, production-quality code
• Serve as a technical bridge between chemists, engineers, and drug designers, effectively communicating complex technical concepts across disciplines
• Optimize performance-critical code for large-scale molecular simulations and generative chemistry calculations
• Drive innovation in computational approaches to undruggable targets and data-poor target spaces
• Mentor engineers and contribute to technical strategy for our in silico platform
• Implement best practices in software engineering including code review, testing, and documentation
• Facilitate cross-functional collaboration through clear, effective communication of technical requirements and solutions

• PhD in Chemistry, Medicinal Chemistry, Computational Chemistry, Chemical Engineering, or related field, or equivalent industry experience
• 8+ years of professional software development experience with demonstrated expertise in C++
• Deep understanding of chemistry principles, molecular structures, and chemical processes
• Strong mathematical background, particularly in linear algebra, 3D modeling, and spatial transformations
• Experience working with 3D molecular structures and structure-based drug design
• Strong knowledge of modern C++ (C++14/17/20) including STL, templates, and memory management
• Experience with performance optimization, parallel computing, and algorithm design
• Proven track record of delivering complex scientific software projects from conception to deployment
• Excellent communication skills with demonstrated ability to effectively collaborate with chemists, engineers, and drug designers
• Ability to translate scientific requirements into technical specifications and explain complex technical concepts to non-technical stakeholders
• Passion for solving seemingly impossible problems and pushing the boundaries of what's possible
• Strong problem-solving skills and ability to work at the intersection of science and engineering

• Experience with generative chemistry methods and molecular design algorithms
• Knowledge of molecular dynamics, drug-target interactions, or computational drug design
• Experience with 3D molecular visualization and structure-based drug design
• Experience with computational chemistry software packages (PSI4, ORCA, Schrödinger Suite, RDKit, etc.)
• Proficiency with GPU programming and HPC environments
• Familiarity with AI/ML applications for chemistry and drug discovery
• Experience with cheminformatics and molecular property prediction
• Background in structure-based drug design or protein-ligand interactions
• Publications in computational chemistry or scientific computing
• Additional programming skills (Python)
• Experience with scientific computing libraries (Eigen, Boost, BLAS/LAPACK)
• Experience with 3D graphics programming or computational geometry

• Expert-level C++ programming
• Scientific computing and numerical methods
• Performance optimization and parallel computing
• Version control systems (Git)
• Build systems (CMake, Make)
• Debugging and profiling tools
• Unit testing frameworks
• Data structures and algorithms

• Opportunity to work on previously undruggable targets and fundamentally change the paradigm of drug discovery
• Collaborative environment with world-class scientists,…