Research Scientist — Boston, MA

Recruiter seeking Research Scientist for Molecular AI

Our client, a leading global biopharmaceutical innovator, is looking for a talented Research Scientist to join their Boston based team. This role focuses on the intersection of artificial intelligence and drug discovery, specifically revolving around structure based small molecule design. You will work within a high caliber group to create advanced computational tools that accelerate the identification of life changing medicines.

In this position, you will create and refine deep learning models for molecular modeling tasks such as affinity estimation, protein ligand interactions, and generative design. You will be responsible for building rigorous testing frameworks to ensure model performance translates to scientific results. Working alongside medicinal chemists and structural biologists, you will integrate these models into real world drug discovery pipelines to prioritize chemical matter for research programs.

We are looking for candidates who hold a PhD in a relevant field such as Computational Chemistry, Biophysics, Computer Science, or Computational Biology. Your doctoral research should have focused on machine learning applications for molecular modeling. Proficiency in Python and modern frameworks like PyTorch or JAX is required. You should have direct experience with state of the art structure prediction or co folding systems.

Ideal candidates will possess the following qualifications

Hands on experience training equivariant neural networks, transformers, or diffusion models

Strong background in designing controlled experiments to validate model scientific rigor

Ability to work in a collaborative, multidisciplinary environment involving software engineers and biologists

Excellent communication skills for presenting technical findings to internal stakeholders

Preferred experience includes

Prior postdoctoral or industry work in structure based drug design

A track record of publishing in top tier venues like ICML, ICLR, or NeurIPS

Experience with cloud based high performance computing environments such as AWS or GCP

Familiarity with using AI coding assistants to speed up prototyping

This is a full time, regular role located in Boston, Massachusetts. The position offers a competitive salary range typically between 116,000 and 182,270 dollars annually, depending on experience and education, along with a comprehensive benefits package.

Our client is an equal opportunity employer dedicated to building a diverse and inclusive workforce. All qualified applicants will receive consideration for employment without regard to protected characteristics.