Applied Atomistic Modeling Researcher - Drug Discovery

2w2 weeks ago

NVIDIA

Santa Clara, US · Full-time · $192,000 – $304,750

About this role

NVIDIA leverages high-performance computing and AI to accelerate digital biology. As an Applied Atomistic Modeling Researcher for Drug Discovery, you will join an enthusiastic R&D team researching, implementing, productizing, and delivering deep learning algorithms for atomistic modeling. The team conducts applied research and contributes to productizing results.

You will develop and refine machine learning algorithms related to atomistic modeling in drug discovery. Build metrics for evaluating model predictions and results. Stay on top of recent research to harness new advancements in applied initiatives or product development.

Collaborate with multiple AI infrastructure and research teams while seeking opportunities to incorporate field advances and NVIDIA products into infrastructure. Work at the forefront of AI and computational science with strong wet lab partnerships. Be part of an ambitious team driving innovation and pushing boundaries.

This role offers chances to make significant contributions impacting the world through digital biology advancements. Partnerships with industry and academia enhance the outstanding opportunity. Contribute to fields transforming global health and science.

Requirements

5+ years of relevant experience
PhD Degree in a quantitative field such as Computer Science, Physics, Computational Biology, Mathematics (or a related field), or equivalent experience
Expertise in atomistic modeling and machine learning use cases for it, such as free energy modeling, machine learnt interatomic force fields, conformer generation
Strong experience with Python for deep learning (PyTorch, Jax, Warp) and relevant specialized deep learning libraries (e.g., PyG, cuEquivariance)
Recognition for technical leadership contributions, capable of self-direction, and willingness to learn from and guide others
Strong communication skills and self-motivation

Responsibilities

Develop and refine machine learning algorithms related to atomistic modeling in drug discovery
Build metrics for and assist with the evaluation of model predictions and results
Stay on top of recent research and discover methods to harness new advancements for applied research or product development
Collaborate with multiple AI infrastructure and research teams
Seek opportunities to incorporate advances in the field and other NVIDIA products into infrastructure