Research Scientist (Quantum Chemistry and Machine Learning), London

Isomorphic Labs is seeking a Research Scientist to join their interdisciplinary team focused on applying AI to unlock scientific breakthroughs in drug discovery. The role involves building, running, and mentoring projects in computational chemistry, simulating biochemistry, and data generation using cloud computing. The ideal candidate will have a deep understanding of biological and chemical principles and experience in machine learning.

Requirements

• PhD or equivalent practical experience in a technical field.
• Proven track record in applying computational chemistry to predict experimental quantities.
• Strong scientific knowledge in biology, chemistry, or physics.
• Exposure to applied ML research (project supervision, leadership, or management).
• Experience working in a scientific environment (biology, chemistry, physics).
• Experience with ML frameworks (JAX, PyTorch, TensorFlow).
• Strong knowledge of linear algebra, calculus and statistics.
• Experience with large scale deep learning, generative models, graph neural networks, and deep learning for drug discovery.
• Experience with real-world datasets and ML on accelerators.

Benefits

• Hybrid working
• Collaborative and inclusive work environment