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Superluminal - Computational Chemist/Senior Computational Chemist


Boston, MA, US
  • Job Type: Full-Time
  • Function: Research Sci/Assoc/Mgr
  • Industry: Life Science
  • Post Date: 05/23/2023
  • Website:
  • Company Address: 200 Berkeley Street, 18th Floor, Boston, MA, 02116

About RAVen

RAVen (RA Ventures) is the venture-focused arm of RA Capital Management, LP, a Boston-based biotechnology and life sciences investment firm.

Job Description

Superluminal Medicines, Inc. is seeking a computational chemist or a senior computational chemist to join our team. Superluminal was established in June 2022, and we are currently at the seed-funding stage. We aim to develop novel therapeutics for a range of molecular targets by tightly integrating computational chemistry, machine learning/AI, and wet-lab technologies.  Working with us offers a unique opportunity to build and grow a fruitful career with the company and apply your computational chemistry expertise to impact human healthcare and the treatment of multiple diseases affecting patients worldwide. You will also be able to advance the state of drug discovery and development.

Daily activities include:

  • Perform classical molecular modeling tasks such as MM optimization, equilibrium and accelerated MD simulations, in-silico docking, FEP calculations, etc.
  • Carry out cheminformatic analyzes, including queries of large databases based on similarity or substructures, MCS analysis, clustering, exemplars/outliers detection, etc.
  • Curate datasets and create and train ML/AI models.
  • Visualize concepts and results in 2D and 3D.
  • Contribute to the development and implementation of novel computational methods for drug discovery.
  • Deploy computational tools and create workflows in the cloud environments (AWS, GCP)
  • Present your work at internal meetings to interdisciplinary teams of computational chemists, ML/AI experts, medicinal chemists, and biologists.
  • Stay up-to-date with the latest developments in computational chemistry to enhance our computational pipeline and expand our toolkits.


  • Ph.D. in computational chemistry, cheminformatics, or a related field with a minimum of 3 years (for the computational chemist role) or six years (for the senior computational chemist role) of post-PhD experience in drug discovery.
  • Proven track record in applying molecular modeling methods: molecular mechanics and dynamics, the free energy of binding evaluation (TI/FEP)
  • Strong experience with cheminformatics, including RDKit, OpenBabel,
  • Familiarity with ML/AI tools in computational chemistry, such as AlphaFold, DeepChem, PyTorch, etc
  • Experience using packages for molecular modeling, e.g., tools from Schrodinger or Cresset, Amber, NAMD, or other related software.
  • Hands-on experience using visualization software, e.g., Pymol, or VMD
  • Experience coding, data analysis, and visualization tools in Python.
  • Familiarity with public databases such as PubChem, PubMed, ChEMBL, UniProt, etc., and practical experience in using APIs to query these databases programmatically
  • Familiarity with cloud computing environments, such as AWS, GPC, etc.
  • Excellent communication and interpersonal skills. Ability to work collaboratively and communicate effectively with scientists from diverse areas of expertise.

We offer a competitive salary package and a supportive work environment where you will have the opportunity to expand your skill set and contribute to the development of therapeutics in areas of critical importance.