Cheminformatics Engineer (Machine Learning/AI)

At Loka we use a modern tech stack to support meaningful projects across a huge range of industries. In the last year, our teams have helped clients transform the discovery of soybean mutations, advance the world’s #1 AI reading tutor and develop novel drugs for fighting cancer—all while enjoying every other Friday off. Join us, feed your need to grow and ship projects you believe in with a team you’re proud to be a part of.

Loka is seeking a Cheminformatics Engineer (machine learning/artificial intelligence) to drive machine learning projects for small molecule research, supporting machine learning engineers in delivering value to clients. This person will provide domain expertise and thought leadership, participate in scoping calls to shape project design the outset, develop deep learning models for customers based on multiple architectures (GNNs, Transformers, etc.) and provide technical support when needed.

The Role

• 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.

• Follow Loka’s career track for growth by demonstrating technical excellence, innovation, autonomy, ownership, communication and teamwork.

Hard Skills

• 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

Soft Skills

• Communication skills that build effective relationships with internal and external parties

• Demonstrated ability to partner and collaborate effectively with research teams and drug discovery functions

Additional Requirements 

• Excellent English - Being a global team, we work entirely in English for meetings, customer calls and business communications

• Clean criminal record

• CV sent in English

Benefits

• Every other Friday off (26 extra days off a year)

• Remote and flexible

• 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

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