(Senior) Machine Learning Scientist
Core
Train, validate, and ship predictive ML models to score chemical molecules for developability (ADMET), potency, synthesizability, and 3D structure to power a molecular design platform.
Role type
Senior Machine Learning Scientist (Computational Chemistry)
Builds
Predictive models for ADMET, potency, and synthesizability integrated into a molecular design platform
Domain
Biotechnology / Computational Chemistry / Molecular Design
Deliverable
production ML models
Required skills
Python, PyTorch, Graph Neural Networks (GNNs), molecular representations (fingerprints, graphs, 3D), RDKit, uncertainty estimation, scaffold/temporal splits
Preferred skills
Generative design, active learning, Bayesian optimization, MLOps, docking, free-energy methods, protein structure prediction
Technologies
PyTorch, RDKit, GNNs, transformers
Responsibilities
Train and maintain ML models for ADMET and developability endpoints; Build potency and binding models (QSAR, ligand- and structure-based); Develop synthesizability models; Apply and fine-tune structure-aware models; Curate and clean assay data; Package models for the platform; Present results and limits to chemists and project teams
Seniority
Senior, hands-on IC
