Month: November 2020

At SC20’s Computational Approaches for Cancer Workshop, Argonne and University of Chicago researchers will present a paper detailing a novel approach that can be used to efficiently navigate vast chemical libraries for promising drug candidates. By using a graph-based structure of the chemical space instead of a static library of compounds, their study demonstrates an enhanced sampling technique for ultra-high-throughput docking studies.

Argonne computational scientist Yuri Alexeev teamed up with researchers from eight other national laboratories to co-organize a new workshop focused on exploring the software tools and techniques needed to make quantum computing practical and accessible. The workshop will cover topics such as programming languages, quantum computing simulators and debuggers.

Researchers from Argonne and Lawrence Livermore National Laboratory will present a tutorial on using lossy data compression to reduce the size of increasingly large scientific datasets. They will use real-world examples to illustrate the capabilities and performance of different compression techniques.