About this role
Revolution Medicines is a clinical-stage precision oncology company focused on developing novel targeted therapies to inhibit frontier targets in RAS-addicted cancers. The Principal Machine Learning Scientist will lead advanced machine learning approaches that accelerate small-molecule drug discovery. This role sits at the intersection of data science, chemistry, and biology, transforming complex datasets into predictive models for target discovery and compound design.
Working closely with experimental scientists, develop cutting-edge modeling approaches that integrate chemical, biological, and phenotypic data. Design predictive models, deploy innovative algorithms, and translate insights into actionable decisions. Advance a data-driven discovery strategy to improve the speed and success of medicines for RAS-driven cancers.
Partner with medicinal chemists to guide compound design and optimization. Collaborate with biologists to interpret experimental datasets and generate mechanistic hypotheses. Work with data scientists and ML engineers to deploy models into scalable discovery workflows.
Integrate heterogeneous datasets including chemical structure, screening data, imaging, phenotypic screening, structural biology, and molecular simulation outputs. Provide scientific leadership by defining ML strategies and driving adoption of innovative modeling in multidisciplinary teams. Join outstanding Revolutionaries in a tireless commitment to patients with RAS signaling pathway mutations.
Requirements
- PhD in machine learning, computational chemistry, computational biology, computer science, or a related quantitative discipline
- 8+ years experience applying machine learning or advanced analytics to scientific problems
- Demonstrated experience working with chemical or biological datasets in drug discovery or related domains
- Strong expertise in Python-based ML ecosystems (PyTorch, TensorFlow, scikit-learn)
- Strong expertise in data analysis and scientific computing (NumPy, Pandas)
- Strong expertise in deep learning and representation learning techniques
- Strong understanding of early-stage drug discovery workflows
Responsibilities
- Define and lead machine learning strategies that accelerate early-stage drug discovery
- Identify opportunities where AI and advanced analytics can meaningfully improve scientific decision-making
- Drive the adoption of innovative modeling approaches within multidisciplinary discovery teams
- Develop predictive models for compound activity, selectivity, ADME/Tox, and developability properties
- Develop predictive models for target engagement, mechanism-of-action, and phenotypic datasets
- Apply modern ML techniques such as graph neural networks, deep learning for molecular representation, generative chemistry models, and active learning frameworks
- Partner with medicinal chemists to guide compound design and optimization
- Collaborate with biologists to interpret complex experimental datasets and generate mechanistic hypotheses
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