ML Engineer: Molecular Design & Drug Discovery

R&D Partners; South San Francisco (CA); On-site; USD 135,000 - 169,000; Full time

Benefits offered by this job

Medical insurance – PPO, HMO & HSA

401k plan

Employee Assistance Program

Long-term disability

Weekly payroll

Online timecard approval

Job summary

R&D Partners seeks a talented Machine Learning Engineer to advance molecular design using ML-based optimization and probabilistic modeling. You will build pipelines for molecular property prediction and active learning in drug discovery, collaborating with ML scientists, chemists, and biologists in a fast-paced environment.

The role focuses on deploying production-ready ML workflows with Bayesian optimization and generative modeling for drug design, in a 12-month contract based in South San

Qualifications

• PhD in Computer Science, Chemistry, Chemical Engineering, Computational Biology or Physics; or MS with 3+ years industry experience.
• Experience with ML libraries in production-grade workflows such as PyTorch + Lightning + Weights & Biases.
• Demonstrated track record: at least one high-impact first-author publication or equivalent.
• Strong written, visual, and oral communication and collaboration skills.
• Experience with physical modeling methods (molecular dynamics) and cheminformatics toolkits (e.g. rdkit).
• Focus on one or more areas: molecular property prediction, computational chemistry, de novo drug design, etc.
• Public portfolio of computational projects (e.g., GitHub).
• Salary range appears in ad: $134,908-$168,646.

Responsibilities

• Develop ML and Bayesian optimization workflows to analyze and design small and large molecules.
• Collaborate with ML scientists, engineers, computational chemists, and computational biologists.
• Engage with small molecule and protein therapeutic development efforts.
• Generate new project ideas and contribute to ongoing projects.

Skills

ML workflows

Communication

Collaboration

Portfolio of computational projects

Education

PhD in a quantitative field or MS + 3+ years industry

Experience with ML libraries in production (PyTorch + Lightning + Weights & Biases)

Tools

PyTorch

Lightning

Weights & Biases

rdkit

Molecular dynamics tools

Job description

R&D Partners seeks a talented Machine Learning Engineer to advance molecular design using ML-based optimization and probabilistic modeling. You will build pipelines for molecular property prediction and active learning in drug discovery, collaborating with ML scientists, chemists, and biologists in a fast-paced environment.

The role focuses on deploying production-ready ML workflows with Bayesian optimization and generative modeling for drug design, in a 12-month contract based in South San