Machine Learning Engineer (Pharmaceuticals)

Pharmaceutical company is looking for a talented Machine Learning Engineer to develop structural and machine learning-based methods for molecular design. The successful candidate will manage projects deploying new techniques for machine learning-based molecular optimization for the analysis and design of small and large molecule drugs within target-driven design campaigns. Special focus will be given to engineering pipelines for probabilistic molecular property prediction and Bayesian acquisition for active learning-based drug discovery. Additional activities may extend to include engineering pipelines for molecular generative modeling. This is a 12-month contract based in South San Francisco, California. Responsibilities • Collaborate closely with scientists and develop machine learning and Bayesian optimization workflows to analyze existing and design new small and large molecules. • Form close working relationships with small molecule and protein therapeutic development efforts. • Work on existing projects and generate new project ideas. Qualifications • PhD in a quantitative field (e.g., Computer Science, Chemistry, Chemical Engineering, Computational Biology, Physics), or MS with 3+ years of industry experience. • Demonstrated experience with machine learning libraries in production-ready workflows (e.g., PyTorch + Lightning + Weights and Biases). • Record of achievement, including at least one high-impact first author publication or equivalent. • Experience with physical modeling methods (e.g., molecular dynamics) and cheminformatics toolkits (e.g., rdkit). • Previous focus on one or more of the following: • Molecular property prediction • Computational chemistry • De novo drug design • Medicinal chemistry • Small molecule design • Self-supervised learning • Geometric deep learning • Bayesian optimization • Probabilistic modeling • Statistical methods • Public portfolio of computational projects (e.g., GitHub). Salary • $97,801-$158,932 Why Choose R&D Partners? As an employee, you have access to a comprehensive benefits package including: • Medical insurance – PPO, HMO & HSA • Dental & Vision insurance • 401k plan • Employee Assistance Program • Long-term disability • Weekly payroll • Expense reimbursement • Online timecard approval R&D Partners is a global functional service provider and strategic staffing resource specializing in scientific, clinical research & engineering. We provide job opportunities within major pharmaceutical, biopharmaceutical, biotechnology, and medical device companies. R&D Partners is an equal-opportunity employer.