Molecular Dynamics Research Scientist

at  Exscientia

ABOUT US

Exscientia is an AI-driven precision medicine company committed to discovering, designing and developing the best possible drugs in the fastest and most effective manner. Exscientia developed the first-ever functional precision oncology platform to successfully guide treatment selection and improve patient outcomes in a prospective interventional clinical study, as well as to progress AI-designed small molecules into the clinical setting.
Our internal pipeline is focused on leveraging our precision medicine platform in oncology, while our partnered pipeline broadens our approach to other therapeutic areas. By pioneering a new approach to medicine creation, we believe the best ideas of science can rapidly become the best medicines for patients.

ESSENTIAL SKILLS:

• PhD in Physics, Chemistry, Computational Chemistry, Computational Biology, or related field, or equivalent research experience.
• Knowledge of drug discovery processes and the application of molecular dynamics in this field.
• Expertise in Python programming.
• Experience in developing open-source and/or commercial software (eg. Amber, GROMACS, OpenFF, and other relevant MD packages).
• Proven track record in method development for molecular simulations or computational chemistry.
• Familiarity with the latest machine learning methods (eg. neural network potentials, PyTorch, and uncertainty quantification).

DESIRABLE SKILLS:

• Understanding of statistical mechanics.
• Experience running large-scale jobs on cloud-based infrastructure and / or HPC clusters.
• Familiarity with UNIX and Linux command line interface.
• Experience with quantum mechanics software and methods.

THE ROLE

We are seeking a motivated and dynamic individual to join our computational physics team and help enhance our physics-driven predictive platform. This team is crucial for designing molecules in our pipeline by supporting live projects. We also develop and deploy cutting-edge methods to keep our platform at the forefront of computational sciences. In this role, you will innovate, develop, and deploy novel molecular dynamics (MD) methods to enhance our capabilities. You will collaborate with teams from AI, Medicinal Chemistry, Computational Chemistry, and Engineering Operations to ensure we deploy the best and most relevant methods for our drug hunters.