Machine Learning Informatics Engineer, Drug Discovery
About SandboxAQ
SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The company’s Large Quantitative Models (LQMs) power advances in life sciences, financial services, navigation, cybersecurity, and other sectors.We are a global team that is tech-focused and includes experts in AI, chemistry, cybersecurity, physics, mathematics, medicine, engineering, and other specialties. The company emerged from Alphabet Inc. as an independent, growth capital-backed company in 2022, funded by leading investors and supported by a braintrust of industry leaders. At SandboxAQ, we’ve cultivated an environment that encourages creativity, collaboration, and impact. By investing deeply in our people, we’re building a thriving, global workforce poised to tackle the world's epic challenges. Join us to advance your career in pursuit of an inspiring mission, in a community of like-minded people who value entrepreneurialism, ownership, and transformative impact.
About the Role
SandboxAQ’s AI Simulation group partners with global research teams to discover new drugs and materials using AI and physics-based computational solutions. We are seeking an experienced researcher to drive innovative and impactful projects leveraging informatics, machine learning, and computational chemistry for drug discovery. The successful candidate will demonstrate strong abilities in cheminformatics and/or bioinformatics, including knowledge of established techniques and cutting-edge machine learning methods for modeling molecular properties and interactions with complex systems. They will also have experience with scientific programming and data science. These skills will be leveraged within a seasoned, agile, and multi-disciplinary group, including drug hunters with an excellent track record in drug discovery, computational chemists, physicists, AI experts, and software engineers.
What You’ll Do
Design and implement software that leverages informatics, machine learning, and computational chemistry to address unmet needs in drug discovery
Contribute to ongoing research leveraging physics-based simulation, deep learning, and knowledge graphs for drug discovery applications
Work closely with an interdisciplinary team of scientists to identify hits and optimize leads in ongoing drug discovery programs
Leverage Bayesian optimization and active learning to improve experimental designs and make data-driven decisions
Collaborate with computational chemistry experts and cross-functional teams to rapidly prototype and scale cutting-edge, impactful drug design solutions.
Translate research and applications to maintainable software systems
Contribute to the scientific community by writing patents / journal articles and presenting at conferences
Translate insights from statistics, multimodal data analysis, and ML to actionable and testable drug discovery hypothesis
This is an opportunity to directly contribute to the discovery of novel innovative medicines by applying computational chemistry techniques on teams with experienced multidisciplinary drug hunters
About You
PhD in chemistry, biology, computer science, or a related discipline
1-5 years of relevant experience including hands-on experience with informatics, machine learning, and computational chemistry applied to drug discovery in the private sector, like biotech or pharma
Experience with cheminformatics and bioinformatics methods (e.g., similarity / substructure searching, reaction-based enumeration, sequence alignment, etc.)
Experience with molecular property prediction and multi-objective optimization using machine learning and / or deep learning methods
Experienced with common python toolkits for scientific computing (e.g., numpy, pandas, scipy), machine learning (e.g., scikit-learn, pytorch), and cheminformatics / bioinformatics (e.g., rdkit, openeye, biotite, biopython)
Familiarity running simulations and training models on high-performance computing (GPU) environments for corporate R&D, innovation labs, or academic research
An interest in solving scientific problems in chemistry and biology via computational and data-driven methods
A drive to cooperate with colleagues to identify problems and communicate technical solutions in an accessible manner
Hands-on mentality & comfortable with getting deep into the technical weeds of highly complex problems, and a track record of driving projects to completion
Located in EMEA
SandboxAQ welcomes all.
We are committed to creating an inclusive culture where we have zero tolerance for discrimination. We invest in our employees' personal and professional growth. Once you work with us, you can’t go back to normalcy because great breakthroughs come from great teams and we are the best in AI and quantum technology.
We offer competitive salaries, stock options depending on employment type, generous learning opportunities, medical/dental/vision, family planning/fertility, PTO (summer and winter breaks), financial wellness resources, 401(k) plans, and more.
Equal Employment Opportunity: All qualified applicants will receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status.
Accommodations: We provide reasonable accommodations for individuals with disabilities in job application procedures for open roles. If you need such an accommodation, please let a member of our Recruiting team know.
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