AdaptiveFlow releases open-source platform for billion-molecule drug screens

Researchers from St. Jude Children's Research Hospital, the University of Pavia, Dana-Farber Cancer Institute and Harvard Medical School announced AdaptiveFlow, an open-source platform for virtual drug screening. The team reported linear scaling to 5.6 million virtual CPUs and a 1,000-fold reduction in computational costs over existing methods. In proof-of-concept work, the platform identified inhibitors for PARP1 and FSP1; the findings were published in Nature Biotechnology.