Design, implement, and evaluate generative and predictive deep learning architectures—transformers, diffusion models, flow-matching models, and graph neural networks
Share actionable strategies and drive architectural decisions to improve the performance of foundational models for biologics drug discovery
Develop multi-modal embeddings that unify protein sequence, structure, and molecular fingerprints
Research novel tokenization schemes and fusion mechanisms that improve both generation quality and property prediction
Research approaches for jointly modeling proteins and small molecules within the foundational architecture
Enable applications to ADCs, antibody–peptide conjugates, T-cell engagers, and other multi-component biotherapeutic formats
Partner with internal MD scientists to integrate physics-based priors, molecular dynamics, and energy-aware learning objectives into model training
Stay at the frontier of AI/ML and computational biology research; identify high-impact directions that advance the foundational model platform
Educate and transfer knowledge to other domain experts effectively to drive cross-functional collaboration on cutting-edge science.
Requirements
Ph.D. in Computer Science, Artificial Intelligence, Theoretical Computer Science, Applied Mathematics, Computational Biology, Physics, or a related field
Strong expertise in modern deep learning architectures, including transformers, diffusion models, flow-matching networks, variational autoencoders, and graph neural networks
Proficiency in Python and modern AI/ML frameworks (PyTorch or TensorFlow)
Familiarity with good software engineering practices including Git version control, code review, testing, and documentation
1-3 years of industry experience in development and deployment of Novel Deep Learning Architecture
Familiarity with protein engineering, protein sequence and structure representation, protein language models (e.g., ESM, AbLang), generative protein models (RFDiffusion, Boltz, Chai, etc.) or related biomolecular ML
Experience applying ML to antibody, nanobody, or peptide design is strongly preferred
Experience with multi-modal architectures that jointly model sequence, structure, and functional annotations, and that fuse molecular representations across different molecule modalities (e.g., protein-peptide, protein–ligand, protein–small molecule)
Protein structure understanding; experience
Experience integrating molecular dynamics simulations, force-field representations, or physics-based priors into machine learning models for molecular design or optimization
Experience with distributed training, GPU-accelerated workflows, and writing performant code for large-scale model training and inference
Prior exposure to experimental biologics workflows (phage display, yeast display, directed evolution) that informs practical design constraints is a plus
Demonstrated history of high-impact publications in top-tier machine learning, AI, or computational biology venues
Strong oral and written communication skills, with the ability to effectively communicate technically challenging concepts and ideas with team members across expert disciplines.
Tech Stack
Chai
Python
PyTorch
Tensorflow
Benefits
eligibility to participate in a company-sponsored 401(k)
pension
vacation benefits
eligibility for medical, dental, vision and prescription drug benefits
flexible benefits (e.g., healthcare and/or dependent day care flexible spending accounts)
life insurance and death benefits
certain time off and leave of absence benefits
well-being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities)