Artificial Intelligence/Machine Learning Team Leader

Artificial Intelligence/Machine Learning Team Leader

Selvita

Kraków, Poland

We are looking for an AI/ML Team Leader to lead a multidisciplinary AI Team and accelerate AI-enabled preclinical drug discovery, drug development and company-wide digital transformation. The role combines scientific AI leadership, client-facing delivery, people management and practical implementation of AI/ML and automation across the discovery value chain. You will be responsible for helping build a high-impact AI function that expands Selvita’s AI-enabled services, strengthens internal digital transformation, and delivers measurable value for pharmaceutical and biotechnology clients through scalable AI/ML solutions in preclinical R&D.

Key Responsibilities

• Lead the design and implementation of AI/ML models and workflows for computational chemistry and bioinformatics.
• Translate preclinical drug discovery and drug development challenges into practical AI tools, analytical workflows and production-ready solutions embedded in scientific processes.
• Drive Selvita’s AI-driven digitalization strategy by contributing to AI-enhanced services, internal AI tools, data-driven workflows and automation across drug discovery & drug development.
• Connect AI delivery with the company’s digital backbone: data platforms, compute infrastructure, governance, model validation and workflow integration.
• Cooperate with drug discovery teams and clients, providing scientific input for offers, negotiations, client meetings, project planning and delivery.
• Contribute to grant-funded R&D, internal IP generation and strategic AI/ML platforms.
• Manage and mentor the AI/ML team: assign goals, monitor progress, provide feedback, strengthen team performance and promote best practices in ML engineering and scientific reporting.
• Support AI capability building across the organization through knowledge sharing, AI Academy activities and responsible use of AI/ML and automation.

Your Background

• Master or PhD degree in machine learning, computer science, cheminformatics, bioinformatics, computational chemistry, statistics, physics or a related discipline.
• At least 7 years of relevant experience in AI/ML, ideally in drug discovery, drug development, computational chemistry, bioinformatics in a pharmaceutical, biotech or a CRO environment.
• Strong knowledge of modern AI/ML, model validation and scientific software development.
• Advanced Python skills with experience in scientific ML/deep-learning frameworks, GPU acceleration, Git-based workflows, Linux/Unix environments and containerization.
• Experience leading multidisciplinary scientific projects and translating business or client needs into feasible AI/ML solutions.
• Strong client-facing communication, mentoring, project management and stakeholder-management skills.
• Fluent professional and scientific English.

Nice to have:

• Experience with LLMs, RAG pipelines, AI agents, Protein Language Models or generative AI for life sciences.
• Knowledge of CADD platforms, QSAR/ADMET modelling, Omics analytics, HCS/image analysis, KNIME, Shiny/R.
• Familiarity with MLOps, cloud or lakehouse architectures, data governance, GDPR, EU AI Act considerations or regulated data environments.
• Experience in proposal preparation, grant writing or scientific consulting.