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Machine Learning Engineer

IB

Inductive Bio

Software Engineering
New York, NY, USA · San Francisco, CA, USA · Boston, MA, USA
Posted on Apr 9, 2025

Drug discovery is a prediction problem. Scientists design molecules that they predict will be potent, safe, and readily absorbed into the body, but ultimately lab experiments must be run to know whether these predictions are accurate. Each one of these experiments can take weeks or months to run, and as a result it costs millions of dollars and takes years to design a molecule that is ready for testing in humans–of which 90% will fail in clinical trials.

At Inductive Bio, we're using AI to build in silico models that can more accurately predict how molecules will behave in experiments. By predicting complex molecular properties directly from the molecular structure alone, our platform helps scientists make better decisions faster—ultimately bringing safer, higher-quality medicines to patients more quickly. We are enabled by a unique and growing proprietary data set, and we are already applying our methods to more more than 30 active drug discovery programs. Backed by leading investors at the intersection of biotechnology and technology, and advised by renowned experts in drug discovery, we are growing rapidly and poised to make a major impact in drug discovery.

We are seeking a Machine Learning Engineer to join our talented, ambitious, and kind team. You'll have the opportunity to innovate on methods, work with leading drug discovery scientists, and apply your work immediately to drug programs at some of the most innovative biotechs in the world. As an early machine learning engineer at a rapidly-growing startup, you’ll have the opportunity for high impact while learning and growing with the company.

What you’ll do:

  • Develop machine learning models to predict molecular properties from chemical structures

  • Develop novel algorithms for generating ideas for new molecules

  • Build agents that can synthesize complex information from drug programs and apply that information strategically toward molecular optimization

  • Get your hands dirty by diving deep into our unique, proprietary dataset to iterate on modeling ideas and improve model performance

  • Collaborate closely with chemists and software engineers to integrate models into our software platform, which is used by drug discovery scientists across the industry

  • Build and optimize scalable infrastructure for model training, deployment, and monitoring

  • Engage directly with our scientific users, incorporating their feedback into the product

  • Contribute meaningfully to product strategy and company direction

Who you are:

  • You have 4+ years of experience as a Machine Learning Engineer, Machine Learning Scientist, Data Scientist, or similar role

  • You have expertise in machine learning fundamentals, deep learning architectures, and evaluation approaches

  • You are proficient in standard Python-based ML frameworks (e.g. PyTorch, TensorFlow, scikit-learn)

  • You are comfortable writing high-quality, reusable code and productionizing models for serving in the cloud

  • You are excited to dive deep into the science and practice of drug discovery

  • You have exceptional written and oral communication skills

Working at Inductive

At Inductive Bio, we know that the people on the team are what make us great. We offer competitive salary and equity-based compensation; comprehensive healthcare benefits (including dental and vision); and the opportunity to grow along with a rapidly scaling company. We are a passionate, kind, and mature team. Working at a fast growing startup is not always a 9-5 job, but we believe that our employees should have full lives beyond their career.