SystImmune · 11 hours ago
Director, AI Small Molecule Drug Design
Redmond, WA
Full-time
Onsite
Director/Executive
$200K/yr - $250K/yr
10+ years expSystImmune is a leading and well-funded clinical-stage biopharmaceutical company specializing in innovative cancer treatments. They are seeking a Director to define, build, and lead their AI-enabled small molecule design function, collaborating closely with chemists, biologists, and computational scientists to integrate AI-driven design into drug discovery efforts.
BiopharmaBiotechnologyProfessional Services
Responsibilities
Own the design, development, and optimization of AI-driven small molecule drug design pipelines, setting strategy and technical direction to predict molecular properties, enable virtual screening, and improve drug-like characteristics across programs
Lead the application of advanced AI methodologies, including generative modeling, deep learning, and reinforcement learning, to generate novel small molecules and predict target interactions, with accountability for scientific rigor and translational impact
Oversee and advance AI-based molecular docking capabilities (e.g., DiffDock), ensuring models are validated, scalable, and meaningfully improve binding affinity predictions, lead optimization, and virtual screening efficiency
Partner closely with medicinal chemistry, biology, DMPK, and computational biology leaders to integrate AI methods into end-to-end drug discovery workflows, ensuring seamless transition from computational design to experimental validation
Lead AI-enabled efforts supporting drug manufacturing and developability, including optimization of synthesis routes, yield prediction, and manufacturability assessment for small molecule drug candidates
Direct large-scale virtual screening strategies, leveraging AI models to explore expansive chemical space, prioritize compound libraries, and identify high-quality lead candidates aligned with therapeutic objectives
Guide interpretation of computational and AI-generated data, translating complex analyses into clear recommendations that inform decision-making around pharmacokinetics, toxicity, efficacy, and compound progression
Drive the development, deployment, and evolution of AI-based software tools and platforms, ensuring scalability, robustness, and usability across cross-disciplinary scientific teams
Establish standards for data integration and insight generation from large-scale chemical and biological datasets, enabling optimization of drug candidates for efficacy, safety, and pharmacokinetic profiles
Stay at the forefront of advances in AI and computational chemistry, particularly in AI small molecule generation, molecular docking, and virtual screening, and strategically apply emerging methods to continuously improve discovery productivity
Build, mentor, and lead a high-performing small molecule design team, fostering an inclusive, high-velocity culture while serving as a visible scientific leader internally and externally
Qualification
Required
PhD or equivalent in Computational Chemistry, Bioinformatics, Biophysics, Machine Learning or related field
10+ years of experience applying computational chemistry and AI to small molecule drug design, with a proven track record advancing compounds into lead and clinical stages, including hands-on expertise in AI-based molecular generation, docking, virtual screening, and manufacturability-aware design
Deep experience building and owning computational design platforms and workflows
Proven track record of applying AI/ML in drug discovery
Hands-on expertise in structure-based drug design, ligand-based design, generative methods, and predictive modeling
Strong technical fluency in relevant tools and programming languages such as Python, R, or C++, and experience with machine learning frameworks (e.g., TensorFlow, PyTorch)
Excellent communicator with a bias for action and delivering results
Experience in antibody-centric modalities and multi-specific projects
Experience scaling teams and establishing operating rhythms in early programs
Prior success integrating design teams into cross-disciplinary drug discovery organizations
Benefits
100% paid employee premiums for medical/dental/vision
STD
LTD
401(k) plan with a 50% company match of up to 3%
Vesting schedule of only 5 years
15 PTO days per year
Sick leave
11 paid holidays
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Company
SystImmune
SystImmune is a biotechnology company.
51-200 employees
H1B Sponsorship
SystImmune has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (14)
2023 (1)
2022 (2)
2021 (2)
2020 (1)
Funding
Current Stage
Growth StageLeadership Team
Martin S. Olivo, MD, MSc,
Chief Medical Officer
Recent News
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