ML Engineer/Scientist Chemistry

Machine Learning Scientist - Chemistry

An early-stage biotech startup applying machine learning and computational chemistry to accelerate small molecule drug discovery. This is a unique opportunity to join at the ground level, contribute to strategic decisions, and work on creative, high-impact science. You'll collaborate across disciplines-chemistry, biology, and data science-while driving innovation in lead optimization and predictive modeling.

Key Responsibilities

• Build and deploy deep learning architectures for generative modeling (e.g., VAEs, flow-based models) to design novel compounds.
• Engineer robust ML pipelines and infrastructure for large-scale chemical and biological datasets.
• Integrate computational chemistry techniques (QSAR, docking, molecular modeling) with advanced ML approaches.
• Collaborate with experimental teams to validate computational insights and iterate on design strategies.
• Contribute to strategic planning for platform development and next-generation agentic AI products.
• Operate independently and adapt to a fast-paced, startup environment.

Experience

• Strong ML engineering experience with a focus on scalable model deployment and optimization.
• Hands-on expertise in deep learning frameworks (e.g., PyTorch, TensorFlow) and generative modeling techniques (VAEs, flow-based models).
• Demonstrated success in predictive modeling for toxicity and ADMET properties.
• Proven ability to work independently and take ownership of complex projects.

Education

• Ph.D. in Computational Chemistry, Chemistry, or a closely related field.
• Strong publication record in top-tier journals demonstrating expertise in computational chemistry and/or ML applications in drug discovery.