Cheminformatics Specialist

About the Role

Loka is seeking a Cheminformatics Specialist to drive machine learning projects for small molecule research. This person will provide domain expertise and thought leadership, participate in scoping calls to shape project design, develop deep learning models for customers based on multiple architectures, and provide technical support when needed.

Key Responsibilities

• Understand Loka's clients' business objectives and develop models that help achieve them, plus metrics to track their progress.
• Design and implement complex ML systems using classic ML, DL, and foundation models and following best practices.
• Lead client communications by gathering requirements, managing expectations, and communicating deliverables.
• Analyze model errors; design strategies to overcome them.
• Deploy, maintain, and upgrade ML models and pipelines.

Requirements

• PhD in Bioinformatics, Chemistry, Bioengineering, or similar, preferably in the Chemoinformatics area. MSc candidates with extensive expertise are also suitable.
• Experience in drug discovery and machine learning highly desirable.
• Understanding deep learning for molecular property prediction and lead optimization.
• Extensive knowledge of computational chemistry and/or structure-based design.
• Experience with Open Source Cheminformatics packages (e.g., RDKit), chemical workflow environments, machine learning on chemical data, and chemical databases.

Benefits

• Every other Friday off (26 extra days off a year).
• Remote and flexible work environment.
• Explore and Relocation programs (three months work abroad or full international relo).
• Paid sick days and local holidays.
• Premium mental health subscriptions.
• Access to LokaLabs, our internal research and development program.
• Fitness subscription.
• Mental wellness programs.
• Defined career path.
• Business English classes.

What We Offer

Loka is a company that values innovation, autonomy, ownership, communication, and teamwork. We offer a dynamic work environment, opportunities for growth, and a chance to work on meaningful projects that make a difference.