Autopack is an open-source python tool that enables the automatic labeling of packing motifs for large and chemically diverse datasets of molecular crystals. Autopack takes advantage of geometric descriptors to find useful cross-sections within the crystal structure to elucidate the associated packing motif. Autopack is capable of processing either crystallographic information files (CIFs) or Cambridge Crystal Structure Database (CCDC) reference codes provided in a CSV file. Internally, Autopack will both validate and filter crystal structures that do not satisfy the packing motif labeling criteria (as explained in the associated publication), limiting the number of manual preprocessing steps.
Driving Industry Partnerships
The Innovation and Partnerships Office serves as a focal point for LLNL engagement with industry. Whether by technology commercialization, encouraging entrepreneurship, or via laboratory business development activities, our mission is to grow the economy by advancing the development and commercialization of scientific discoveries. Our goal is to identify and leverage new economic opportunities and move those opportunities to the private sector. IPO currently has active commercial licenses with more than 100 companies as well as dozens of active CRADAs. Licensing and royalty income in recent years has topped $8 million annually representing more than $300 million in annual sales of products based on LLNL technologies. LLNL licensed technologies have enabled the launch of numerous new businesses that are helping drive economic growth locally, regionally and beyond.
ACTIVE PATENTS & APPLICATIONS
LLNL has developed a method of extending device lifetimes by imprinting into the device a shape that excludes specific vibrational modes, otherwise known as a phononic bandgap. Eliminating these modes prevents one of the primary energy loss pathways in these devices. LLNL’s new method enhances the coherence of superconducting circuits by introducing a phononic bandgap around the system’s operating frequency.
<p>With business applications moving to the cloud from traditional corporate networks, a crucial part of any organization’s cybersecurity is managing the users who can access their computers, networks, software applications and data. LLNL’s One ID technology is a cost-effective way to more easily manage a large organization’s enterprise security.</p>
Join us to hear about innovation in materials for CO2 capture from biogas waste streams. Biogas is an underutilized energy source and LLNL research has the potential to change that. The team's successful results thus far are leading to scale up and field demonstrations for upgrading biogas from agricultural sources to compete in this $24B global market.
ACTIVE COMMERCIAL LICENSES & CRADAS
ANNUAL LICENSING & ROYALTY INCOME
ANNUAL PRODUCT SALES BASED ON LLNL TECHNOLOGIES