QCArchive v0.50 Released
Tuesday, Sept. 12, 2023Release Information and Documentation: https://molssi.github.io/QCFractal/ The Molecular Sciences Software Institute is excited to announce the release of QCArchive v0.50. QCArchive is a MolSSI open-source software product that allows users to run a large number of QM calculations and archive the results. This release has numerous new improvements and features: Want to learn more […]
Introduction to QCArchive: Free Online Webinar!
Join us on Thursday, Sept. 21 from 1-3 pm ET (10 am – 12 pm PT) for a webinar introducing the newly released QCArchive software. QCArchive is a MolSSI open-source software product that helps users run large numbers of QM calculations and archive the results. In this interactive webinar, we will introduce the features, use cases, […]
Basics of Accelerated Computing with Intel OpenMP GPU Offload
Join Molecular Sciences Software Institute (MolSSI) and Intel for the upcoming hands-on Basics of Accelerated Computing with Intel OpenMP GPU Offload virtual workshop: You can stay up-to-date about the upcoming workshops by subscribing to our newsletter here or following the updates posted on our Industrial Training Program webpage.
Machine Learning and Chemistry: Are We There Yet?
The workshop schedule is now available at THIS LINK! Organizers: Pratyush Tiwary, University of Maryland, College ParkCecilia Clementi, Free University BerlinTeresa Head-Gordon, University of California, Berkeley In recent years, the field of machine learning (ML) has seen an incredible and sustained surge in interest. From image classifiers to board games to protein structure prediction, ML […]
Fundamentals of Data-Parallel C++ and SYCL
The Molecular Sciences Software Institute (MolSSI) and Intel invite you to register for the upcoming Fundamentals of Data-Parallel C++ and SYCL workshop: Registration: https://molssi.typeform.com/to/mO4Gly5T Level: Intermediate-Advanced Date: September 29 and 30 at 11:00-16:00 ET We encourage everyone to sign up as early as possible due to the limited number of seats available. You can stay up-to-date about the […]