Nov. 17, 2020

Model for COVID-19 drug discovery a Gordon Bell finalist

Jeremy Thomas/LLNL

A machine learning model developed by a team of LLNL scientists to aid in COVID-19 drug discovery efforts is a finalist for the Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research. Using Sierra, the world’s third fastest supercomputer, LLNL scientists produced a more accurate and efficient generative model to enable COVID-19 researchers to produce novel compounds that could possibly treat the disease. The team trained the model on an unprecedented 1.6 billion small molecule compounds and one million additional promising compounds for COVID-19, reducing the model training time from one day to just 23 minutes. Read more at LLNL News.