MDAnalysis/MolSSI Workshop at Arizona State University

MDAnalysis, in conjunction with the Molecular Sciences Software Institute(MolSSI) and with the support of the Chan Zuckerberg Initiative, and the Center for Biological Physics, is holding a free, 2-day workshop on June 24th-25th, 2024 at Arizona State University in Tempe, Arizona, USA. This two-day workshop is designed to transform attendees from users to developers and will cover an introduction to MDAnalysis, software best practices, […]

Two-Day Workshop on Python Scripting and AI-Assisted Coding

Join us for an engaging two-day workshop designed to teach programming and data handling skills using Python for people working in the molecular sciences and learn how to speed and enhance your learning using artificial intelligence. This event is ideal for students and professionals eager to get started with Python scripting and interested in leveraging […]

April Webinar Series – Python Package Development Best Practices

EDIT: We appreciate the great response we’ve seen to this workshop offering. We had capped the registration at 50 people to ensure that we can provide a high quality workshop to attendees, and we’ve already hit the registration limit. We are currently reviewing our personnel allocations for the workshop to see if we can expand […]

Hands-on Fundamentals of Accelerated Computing with CUDA C/C++ Workshop

NVIDIA Deep Learning Institute (DLI) is conducting a series of free virtual workshops for academia and higher education in the North America. Join the MolSSI Industrial Training Program and our Software Scientist and Certified Instructor, Dr. Sina Mostafanejad for a hands-on Fundamentals of Accelerated Computing with CUDA C/C++ workshop on November 10 from 11:00AM-7:00 PM […]

Basics of Accelerated Computing with Intel OpenMP GPU Offload

The Molecular Sciences Software Institute (MolSSI) and Intel invite you to attend our hands-on Basics of Accelerated Computing with Intel OpenMP GPU Offload virtual workshop on Oct. 27, 2023 from 11:30 – 16:00 ET. Come join us and see how Intel OpenMP helped community codes like NWChem perform compute- and data-intensive tasks more efficiently.  You […]

Call for Proposals for 2024 Molecular Science Software Workshops!

The Molecular Sciences Software Institute is now accepting proposals for its 2024 Software Workshops. Proposed events should focus on software-related challenges relevant to the broad field of computational molecular sciences, including biomolecular and macromolecular simulation, quantum chemistry, and materials science. MolSSI workshops typically last 2-3 days and receive logistical and financial support from the Institute. […]

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: 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 […]