Search for Jobs

1 Result
Pauling AI
United States (remote)
30+ days ago
Pauling AI
United States (remote)
30+ days ago


Stealth biotech startup applying AI to drug discovery is looking for a computational chemist. As a founding employee you will have a key leadership role in the company, and will be expected to contribute to technical and organizational decisions and help grow the team. This is a unique opportunity to join a team of Silicon Valley technology veterans and work in a company with a mission to revolutionize drug discovery. 

Required qualifications:

  • PhD in Computational Chemistry, Biochemistry, Structural Biology or similar
  • At least 2 years of experience in a postdoc or industry position
  • At least 1 year of experience with a popular molecular dynamics package (GROMACS, NAMD, AMBER, etc.)
  • At least 1 year of experience using state of the art molecular modeling and docking software
  • Introductory or above programming knowledge (Python, Java, C++, etc.)
  • Introductory or above experience developing machine learning models
  • Hands-on experience with at least one machine learning framework (Tensorflow, JAX, Pytorch, scikit-learn, etc.)
  • Ability to work independently and supervise others

Preferred qualifications:

  • Familiarity with end to end spectrum of computer aided drug design workflow
  • Familiarity with pharmacological and medicinal chemistry concepts
  • Experience running molecular simulations in public cloud
  • Experience in methods of free energy calculation (Replica exchange, Metadynamics, etc.)
  • 2 years of experience using Python
  • 2 years of experience building machine learning models, in particular deep neural networks
  • Familiarity with C++, CUDA and performance optimization of CUDA kernels
  • Publication record in ML for drug discovery

Key responsibilities:

  • Development of novel ML methods in computational chemistry leveraging state of the art research, including for example machine learned force fields and equivariant neural networks
  • Development of computational chemistry tools as part of an integrated drug discovery framework, including writing backend code in Python
  • Application of commercial and proprietary ML tools to specific drug discovery tasks, target selection, hit finding, hit to lead and lead optimization
  • Hiring, managing and developing other scientists and engineers.

This is a unique opportunity to join at the very beginning of a brand new startup working at the forefront of AI for drug discovery.

Send a resume and a short paragraph explaining your interest in AI for drug discovery to careers at

Job Information

  • Job ID: 68093995
  • Workplace Type: Remote
  • Location:
    United States
  • Company Name For Job: Pauling AI
  • Position Title: Founder Computational Chemist
  • Job Function: Industrial - Permanent
  • Job Type: Full-Time
  • Job Duration: Indefinite
  • Required Travel: 0-10%
Jobs You May Like
Workplace Type
Job Function