About this role
Developing scalable software for machine learning virtual screening pipelines and integrating ML applications with physics-based backends forms the core daily routine. The Hit Discovery team builds computational workflows combining machine learning with chemical physics to evaluate billions of potential drug molecules efficiently. Collaborating with research scientists allows this engineer to improve method accuracy and applicability while transforming them into robust software products.
Applied problem solvers who enjoy tackling computational chemistry challenges and navigating large codebases will find a natural home here. Growth-oriented practitioners who appreciate automated testing and code reviews alongside collaborative communicators bridging machine learning, software engineering, and scientific research tend to thrive. Schrödinger offers a competitive salary range alongside equity-based compensation and comprehensive benefits from its New York office base.
What you will do
- Design, build, and test scalable software for machine learning virtual screening pipelines.
- Integrate machine learning applications with physics-based backends such as docking and free energy perturbation to optimize hit campaigns.
- Work closely with scientists to adapt and expand existing workflows for new discovery cases.
- Help develop new methodologies alongside current operational pipelines.
- Explore scientific literature to benchmark novel machine learning approaches.
- Improve the applicability and accuracy of core hit discovery workflows.
What you need
- Hold a Bachelor's degree or higher in Chemistry, Physics, Computer Science, or a related field.
- Bring between one and three years of production-level software development experience.
- Possess prior machine learning knowledge such as Reinforcement Learning or Active Learning for predicting measurable properties of biological or chemical systems.
- Demonstrate Python programming proficiency.
- Show hands-on experience with machine learning frameworks like PyTorch.
Nice to have
- Molecular dynamics simulation
- Free energy calculation methods
- Ligand-based drug design
- Cheminformatics
- Quantum mechanics
Benefits
- Healthcare with dental and vision
- 401k
- Pre-tax commuter benefits
- Flexible work schedule
- Parental leave program
- Over a month of paid vacation time
Skills and tech stack
Questions candidates ask
What is the compensation range for this role?
The estimated base salary range is between $130,000 and $160,000. Actual compensation depends on factors like experience, education, degrees held, market data, and business needs.
Where is the team located?
New_York is home to the largest office, though Schrödinger has teams all over the world. The office management team plans a myriad of fun company-wide events.
What kind of work schedule flexibility is provided?
Employees benefit from a flexible work schedule. The company culture is described as relaxed, but engaged.