Scientist, Machine Learning

Cambridge, MA
New Equilibrium Biosciences discovers drugs that target intrinsically disordered proteins (IDPs), with the mission of creating transformative medicines for patients with life-threatening diseases. IDPs are a class of shape-shifting proteins that regulate many cellular systems and include over one third of human proteins. These proteins are highly involved in disease, but their extreme flexibility challenges traditional methods for resolving protein structure, prohibiting rational drug design. New Equilibrium is overcoming this challenge through our computational-experimental IDP-Shift platform, which combines accurate modeling of IDP conformations with experimental biophysics to enable ensemble-based drug design for IDPs. A key component of our platform is our machine learned force field which describes protein dynamics at the quantum chemical level.

We are recruiting machine learning scientists at a variety of levels (Scientist I, Scientist II, Sr. Scientist, Principal Scientist) to join our team of highly motivated scientists to expand and improve our machine-learned force field for IDPs. The successful candidate will become a key contributor to our machine learning and data science efforts, focused on developing machine learning models to accurately reproduce quantum chemistry on biomolecular systems. By contributing to our machine learning efforts, they will play an integral role in enabling structure-based drug design for IDPs and discovering new drugs for patients.

Your Responsibilities

  • Develop and optimize custom-built machine learning tools based on proprietary data that will be applied across our drug discovery programs
  • Design, implement, deploy, and maintain production-quality code with appropriate unit and integration tests
  • Work collaborative with an interdisciplinary team and contribute to building project timelines
  • Present internally on a regular basis and externally as needed
  • Stay updated on the latest technologies, tools, and theory

Required Qualifications

  • Degree in computer science/related field with relevant machine learning experience in industry (PhD with 1+ years of experience OR masters with 2+ years of experience OR bachelors with 4+ years of experience)
  • Fluency in Python and key machine learning libraries, such as PyTorch, TensorFlow or JAX
  • Proficient with common development tools (e.g. Git, Kanban) and processes (e.g. testing, code reviews)
  • Practical experience applying machine learning tools and techniques to model complex data and systems in a collaborative environment
  • The ability to prioritize well and communicate clearly
  • Attention to detail and high level of organization

Desirable Qualifications

  • Experience in applying machine learning to molecular systems
  • Domain expertise in computational chemistry or biology
  • Experience implementing, extending, and debugging state of the art machine learning models
  • Thorough understanding of the inner workings of deep learning models
  • Expertise designing and building robust data infrastructure and tools
  • Passion for independent research and problem-solving, and a proven ability to develop and implement scientific idea
  • Experience in software design, development, and algorithm-related solutions for production-grade systems using machine learning
  • Experience with startups
If interested, please send your CV and cover letter to careers@newequilibriumbio.com. Cover letters can be addressed to Drs. Lars Bratholm and Yuri Pezvner. Apply now to join us in our mission of creating new medicines for life-threatening diseases!