Applied AI Scientist – Cheminformatics

We are seeking a highly skilled Applied AI Scientist with expertise in cheminformatics and molecular modeling to support a cutting-edge initiative focused on generative AI in chemistry. This role will contribute to accelerating molecular design and improving R&D efficiency by leveraging advanced machine learning and computational techniques.

You will work at the intersection of AI and chemistry, building scalable models to generate, evaluate, and optimize novel molecular structures. This is a hands-on role where you will translate research concepts into practical, production-ready solutions that support drug discovery and sequencing platforms.

🔹 Key Responsibilities

• Design and implement generative AI models for novel molecule generation and optimization
• Build predictive models to evaluate molecular properties and performance
• Develop pipelines for computer-aided synthesis planning (CASP) and reaction feasibility
• Apply advanced ML techniques (e.g., few-shot learning, fine-tuning) on large-scale molecular datasets
• Integrate public and proprietary datasets to improve model performance
• Collaborate with chemists and cross-functional teams to translate experimental needs into AI-driven solutions
• Write clean, scalable, and production-ready Python code using ML and cheminformatics libraries