Machine Learning Scientist - Quantum Chemistry
Core
Build fast, accurate machine learning models combining quantum chemistry to model small-molecule energetics, protein–ligand interactions, and binding affinity for drug discovery.
Role type
Senior IC machine learning scientist (quantum chemistry)
Builds
Deployable ML pipelines and synthetic datasets for molecular-design tools
Domain
Pharmaceutical R&D / Quantum Chemistry / Machine Learning
Deliverable
production ML models
Required skills
Machine learning, Quantum chemistry, Python, PyTorch, JAX, Psi4, PySCF, ORCA, xTB, Linear algebra, Probability, Optimization
Preferred skills
Scientific software development, Scaling ML training, Large-scale synthetic dataset generation
Responsibilities
Develop ML algorithms for small-molecule energetics and protein–ligand interactions; Build synthetic datasets using quantum mechanics; Develop robust, scalable, reproducible pipelines; Collaborate with computational and experimental researchers; Publish research and present at conferences
Seniority
Senior, hands-on IC
