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The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. 

The ORNL DAAC gathers, processes, archives and distributes information on key land processes, including the shifting ecological and geomorphological features of the U.S. Atchafalaya and Terrebonne basins gathered by the NASA Delta-X mission shown here. Credit: NASA Delta-X

In 1993 as data managers at ORNL began compiling observations from field experiments for the National Aeronautics and Space Administration, the information fit on compact discs and was mailed to users along with printed manuals.

 A group of ORNL staff standing in a long corridor with flags hanging from the ceiling

For 25 years, scientists at Oak Ridge National Laboratory have used their broad expertise in human health risk assessment, ecology, radiation protection, toxicology and information management to develop widely used tools and data for the U.S. Environmental Protection Agency as part of the agency’s Superfund program.

A simulation of the planet from the DOE Energy Exascale Earth System Model, one of the large-scale models incorporated in the Earth System Grid Federation led by DOE’s Oak Ridge, Argonne and Lawrence Livermore national laboratories. Credit: LLNL, U.S. Dept. of Energy

The Earth System Grid Federation, a multi-agency initiative that gathers and distributes data for top-tier projections of the Earth’s climate, is preparing a series of upgrades.

Giri Prakash, director of the ARM Data Center, works with the latest ARM computing cluster at ORNL. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

The Atmospheric Radiation Measurement Data Center is shepherding changes to its operations to make the treasure trove of data more easily available accessible and useful to scientists studying Earth’s climate.

LandScan Global depicts population distribution estimates across the planet. The darker orange and red colors above indicate higher population density. Credit: ORNL, U.S. Dept. of Energy

It’s a simple premise: To truly improve the health, safety, and security of human beings, you must first understand where those individuals are.

ORNL, VA and Harvard researchers developed a sparse matrix full of anonymized information on what is thought to be the largest cohort of healthcare data used for this type of research in the U.S. The matrix can be probed with different methods, such as KESER, to gain new insights into human health. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

A team of researchers has developed a novel, machine learning–based  technique to explore and identify relationships among medical concepts using electronic health record data across multiple healthcare providers.

ORNL is making underused or inaccessible bioenergy data available to accelerate innovation for the bioeconomy. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy

A research team from Oak Ridge National Laboratory has identified and improved the usability of data that can help accelerate innovation for the growing bioeconomy.

Atmospheric Radiation Measurement Data Center in Crested Butte, Colorado.

New data hosted through the Atmospheric Radiation Measurement Data Center at Oak Ridge National Laboratory will help improve models that predict climate change effects on the water supply in the Colorado River Basin.

ORNL’s Cory Stuart is head of data systems and cybersecurity for the DOE Atmospheric Radiation Measurement user facility. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Cory Stuart of ORNL applies his expertise as a systems engineer to ensure the secure and timely transfer of millions of measurements of Earth’s atmosphere, fueling science around the world.