Applied AI Research Scientist

Job summary

Responsibilities

We are looking for an Applied AI Research Scientist to join Aqemia’s Drug Discovery Platform, working at the intersection of ML and molecular science. You’ll split your time between:

• 50% AI Research: Develop cutting-edge ML models (e.g., GNNs, generative models, physics-informed AI) to predict molecular properties and protein-ligand interactions.
• 50% Applied AI: Build ML models that drive real decisions in our internal and partnered drug discovery programs, working hand in hand with chemists, biologists and project leads.

What they're looking for

• MSc or PhD in Computer Science, Machine Learning, Computational Chemistry, or related field.
• Strong problem-solving skills, autonomy and a collaborative mindset.
• ~3-5 years of experience applying ML in scientific or industrial settings.
• Strong experience with ML frameworks (e.g., PyTorch, TensorFlow, Scikit-learn).
• Solid Python programming skills and experience working with scientific computing libraries.

Tech stack

• PyTorch
• TensorFlow
• scikit-learn
• Python