CACTUS provides AI-powered cheminformatics for autonomous science.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

PNNL will engage with transmission planners and other regional partners through technical assistance and listening sessions with the goal of exploring opportunities to integrate equity into transmission planning.

PMedIC, the PNNL and OHSU joint research collaboration, contributes to student success and impact in biomedicine.

A compilation of soil viral genomes provides a comprehensive description of the soil virosphere, its potential to impact global biogeochemistry, and an open database for future investigations of soil viral ecology.

Data reveals mechanisms in our bodies that can help us fight viral pathogenesis.

New apps help researchers with statistical analyses of data.

Researchers devised a quantitative and predictive understanding of the cloud chemistry of biomass-burning organic gases helping increase the understanding of wildfires.

Spatial proteomics enables researchers to link protein measurements to features in the image of a tissue sample, which are lost using standard approaches.

The new PTM-Psi workflow opens the door for uncovering molecular insights within proteomics datasets.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

Researchers created a methodology to design custom network topologies that improve the execution time for scientific applications.

High fidelity simulations enabled by high-performance computing will allow for unprecedented predictive power of molecular level processes that are not amenable to experimental measurement.

Researchers unveil user-friendly software to keep complex projects on budget and on schedule.

PNNL researchers present challenges and opportunities for fusing graph neural networks with deep reinforcement learning.

PNNL researchers outline open problems in different scientific areas in the Journal of Combinatorics.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.

Methods review suggests ways to use artificial intelligence and machine learning to handle missing data when integrating two or more omics approaches.

Gosline works to develop computational algorithms that are uniquely targeted for rare disease work by doing foundational research in model system development. This work can be expanded to all model systems in human disease.