Postdoctoral Fellow, Structural Biology

University at Buffalo; Buffalo (NY); On-site; USD 50,000 - 70,000; Full time

Job summary

A research institution in Buffalo is seeking a highly skilled Postdoctoral Fellow to lead computational development in generative AI frameworks for structural biology. You will drive the technical evolution of a new platform focused on protein structure prediction, utilizing advanced GPU architectures. Responsibilities include optimizing models, designing new architectures, and ensuring stability in training workloads. This prestigious position offers early access to state-of-the-art AI clusters and focuses on improving dynamic protein ensemble modeling.

Qualifications

• PhD in a relevant area focusing on computational techniques.
• Experience with generative models and structural biology.
• Strong programming skills and familiarity with deep learning frameworks.

Responsibilities

• Implement new methodologies for protein ensemble modeling.
• Optimize performance for GPU architectures.
• Design loss functions and model architectures.
• Ensure stability in distributed training.

Skills

Generative AI development

Deep learning

X-ray scattering

GPU optimization

Numerical precision

Education

PhD in Computer Science or related field

Tools

GPU architectures

Job description

Overview

The Grant Lab at the University at Buffalo is seeking a highly skilled Postdoctoral Fellow to lead the computational development of a novel generative AI framework for structural biology. This project sits at the intersection of X-ray scattering and deep learning, aimed at integrating experimental data to predict protein ensemble structures. As an Empire AI-funded fellow, you will have early access to the Empire AI clusters, utilizing state-of-the-art GPU architectures to push the boundaries of structural biology.

This position is a prestigious Empire AI Fellowship at the University at Buffalo, designed for a "CS-first" researcher to drive the technical evolution and large-scale implementation of a new platform for protein structure prediction. Working at the intersection of generative AI and biophysics, the Fellow will focus on expanding the current framework to model dynamic protein ensembles. As an Empire AI-funded fellow, you will have access to the Empire AI Alpha and Beta clusters, utilizing hundreds of state-of-the-art GPUs (including H100 and GB200 nodes) for scaling generative models for structural biology.

Responsibilities

• Technical Expansion: Implementing the next phase of the project to transition from rigid-body models to sophisticated systems for protein ensemble modeling.
• Computational Optimization: Resolving hardware-specific performance and numerical precision challenges across diverse GPU environments.
• Architecture Design: Leading the design of new loss functions, model architectures, and synthetic datasets that integrate experimental X-ray scattering data.
• System Stability: Ensuring numerical reproducibility and stability in large-scale distributed training workloads.

As an Equal Opportunity / Affirmative Action employer, the Research Foundation will not discriminate in its employment practices due to an applicant’s race, color, religion, sex, sexual orientation, gender identity, national origin and veteran or disability status.