Postdoctoral Appointee – Computational Drug Discovery
- Argonne National Laboratory
- Location: Lemont, IL
- Job Number: 7083991
- Posting Date: Aug 26, 2021
- Application Deadline: Open Until Filled
Job DescriptionThe Argonne Leadership Computing Facility (ALCF) has an immediate opening for a postdoctoral researcher to work on novel data-driven scientific discoveries for cancer research targeting our forthcoming exascale supercomputer, Aurora. The ALCF enables breakthroughs in science and engineering by providing supercomputing resources and expertise to the research community.
You will collaborate with scientists in the Early Science Program (ESP) to solve some of the most challenging scientific problems on America’s first Exascale supercomputer, Aurora, to be deployed in 2021. The successful candidate will work with an inter-disciplinary team of scientists to develop data-driven techniques using machine learning and deep learning for drug design and predictive models for drug response to help in the treatments of cancer patients. You will work in a multi-disciplinary and collaborative environment consisting of computational scientists, experimental and computational biologists, computer scientists, applied mathematicians, and ML/DL experts.
In this role you will:
Research and develop data-driven models for drug design and predictive models for drug response that can be used to optimize pre-clinical drug screening and drive precision medicine-based treatments for cancer patients.
Research and develop novel high-throughput workflows to effectively scale the drug-design model on supercomputers.
Education and Experience Requirements
Recent or soon-to-be completed Ph.D. + 0-3 years of experience in computational chemistry, medicinal chemistry, computer science, biological science, or related field
Understanding of basic biochemistry such as protein structure, function, and dynamics
Experience implementing and evaluating deep learning models in Python, using deep learning frameworks such as Pytorch and/or Tensorflow (Keras)
Experience running applications in a high-performance computing (HPC) environment
Solid understanding of python machine learning modules
Experience implementing complex workflows
Ability to communicate scientific and technological advances through publications and presentations, and ability to contribute to the development of research proposals
Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and Teamwork
Experience with deep generative models and/or graph-based models
Experience with small molecule docking and protein receptor molecular dynamic simulations
Experience applying structure-activity relationship methodologies
Argonne is an equal opportunity employer, and we value diversity in our workforce. As an equal employment opportunity and affirmative action employer, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne prohibits discrimination or harassment based on an individual's age, ancestry, citizenship status, color, disability, gender, gender identity, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.