Senior Scientist - AI

Role Overview: Molecule AI is seeking a senior AI technical leader to design and build the computational infrastructure necessary for efficient drug discovery at scale. This hands-on position involves architecting AI systems, making critical design decisions, and leading the implementation by the AI engineering team. The role focuses on building reusable frameworks and infrastructure to enable efficient computational experimentation across multiple therapeutic programs at the platform layer. Key Responsibilities: - Design infrastructure for multi-stage computational workflows - Make technical decisions on AI approaches and architectures - Architect systems to handle heterogeneous computational methods - Guide the AI engineering team through architecture reviews and technical discussions - Evaluate and integrate relevant research for generative models, optimization methods, and multi-agent systems - Design and conduct computational experiments to validate approaches - Collaborate with chemistry, biology, and physics experts to understand scientific constraints and translate them into technical specifications - Communicate capabilities and limitations clearly across disciplines - Build shared understanding through iterative problem-solving Qualifications Required: - Deep understanding of modern AI architectures, frameworks, and tools - Proficiency in probabilistic modeling, uncertainty quantification, and multi-objective optimization - Experience in designing and building complex AI systems - Strong systems thinking and technical depth - Ability to engage with code, review implementations, and debug collaboratively - Track record of shipping complex systems to production or research validation - PhD in Computer Science, AI/ML, or related field with 8 years of experience in building AI/ML systems - 3 years in technical leadership roles with experience in guiding teams and making architecture decisions - Additional experience with AI for scientific applications, computational biology, materials science, or physics is a plus Company Details: Molecule AI is a company dedicated to building AI-driven infrastructure for drug discovery. Their platform, MoleculeGEN, combines generative models, physics-based simulation, and domain knowledge to accelerate the design of novel therapeutic molecules. The company boasts a multidisciplinary team where AI researchers collaborate with expert chemists, biologists, and physicists to solve challenging problems at the intersection of computation and life sciences. Molecule AI has been recognized as an Emerging AI-Powered Drug Discovery Platform at the BioSpectrum Asia Excellence Awards 2024. Role Overview: Molecule AI is seeking a senior AI technical leader to design and build the computational infrastructure necessary for efficient drug discovery at scale. This hands-on position involves architecting AI systems, making critical design decisions, and leading the implementation by the AI engineering team. The role focuses on building reusable frameworks and infrastructure to enable efficient computational experimentation across multiple therapeutic programs at the platform layer. Key Responsibilities: - Design infrastructure for multi-stage computational workflows - Make technical decisions on AI approaches and architectures - Architect systems to handle heterogeneous computational methods - Guide the AI engineering team through architecture reviews and technical discussions - Evaluate and integrate relevant research for generative models, optimization methods, and multi-agent systems - Design and conduct computational experiments to validate approaches - Collaborate with chemistry, biology, and physics experts to understand scientific constraints and translate them into technical specifications - Communicate capabilities and limitations clearly across disciplines - Build shared understanding through iterative problem-solving Qualifications Required: - Deep understanding of modern AI architectures, frameworks, and tools - Proficiency in probabilistic modeling, uncertainty quantification, and multi-objective optimization - Experience in designing and building complex AI systems - Strong systems thinking and technical depth - Ability to engage with code, review implementations, and debug collaboratively - Track record of shipping complex systems to production or research validation - PhD in Computer Science, AI/ML, or related field with 8 years of experience in building AI/ML systems - 3 years in technical leadership roles with experience in guiding teams and making architecture decisions - Additional experience with AI for scientific applications, computational biology, materials science, or physics is a plus Company Details: Molecule AI is a company dedicated to building AI-driven infrastructure for drug discovery. Their platform, MoleculeGEN, combines generative models, physics-based simulation, and domain knowledge to accelerate the design of novel therapeutic molecules. Th