Scientist, Machine Learning / Computational Chemistry

Starting Date

October/November 2020


Research & Development

Type of Contract



Boston, MA

New Equilibrium Biosciences is developing a computational-experimental platform that will empower the discovery of drugs targeting intrinsically disordered proteins. We are looking for a scientist with a background in computational chemistry and machine learning to join our growing team starting in October/November 2020. You should have experience in molecular dynamics simulations, feature selection, and algorithm development. You should also be passionate about using interdisciplinary, novel technologies to facilitate drug discovery for currently undrugged targets.

Required Qualifications:
  • Ph.D. in Computational Chemistry, Computational Biology, Machine Learning, or a related field
  • Experience with:
    • Running molecular dynamics simulations
    • Training AI or ML models
    • Generating and selecting training data for AI/ML models
  • Excellent oral and written communication skills
  • Positive attitude and passion for New Equilibrium’s goals
  • Ability to work independently and rigorously
Desired Qualifications
  • Postdoctoral or industry experience in Computational Chemistry/Biology, Drug Discovery/Development, Machine Learning or a related field
  • Experience in force field development/parameterization
  • Deep understanding of quantum chemistry
  • Experience in cloud computing
  • Experience in setting up and/or running molecular dynamics simulations of proteins
  • Understanding of protein structure, dynamics, and function
  • Develop novel algorithms for our drug discovery platform
  • Work collaboratively with complementary expertise of computational scientists
  • Prepare figures/slides for external presentations
  • Learn on the fly
  • Help shape New Equilibrium Biosciences’ culture

If interested, please apply via our google form by October 1st, 2020.