MolSSI User Groups

Short paragraph about the motivation, goal and description of the user groups

Machine Learning and Chemistry: Are We There Yet?

Organizers: Pratyush Tiwary, University of Maryland, College ParkCecilia Clementi, Free University BerlinTeresa Head-Gordon, University of...

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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...

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MolSSI’s Two-Phase Materials Science Workshop

MolSSI’s Materials Science Workshop, organized by Prof. Dominika Zgid at the University of Michigan, is intended to connect the...

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MolSSI/NVIDIA Certified Hands-on Workshops in HPC and ML

The Molecular Sciences Software Institute (MolSSI) and NVIDIA Deep Learning Institute (DLI) invite you to register for upcoming hands-on...

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MolSSI Workshops at the 2022 Biennial Conference on Chemical Education (BCCE)

The Molecular Sciences Software Institute is hosting two events at the 2022 Biennial Conference on Chemical...

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MolSSI Workshop on HPC in Computational Chemistry and Materials Science

This fully virtual workshop will focus on parallel programming models and algorithms used in or...

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2021 Interoperability Workshop

In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to...

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June Webinar Series – Fast Track Python Data and Scripting

MolSSI is pleased to announce that we will be holding a special June webinar series...

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May Webinar Series – Python Package Development Best Practices

MolSSI is pleased to announce that we will be holding a May webinar series on...

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MolSSI/BioExcel Workshop on Workflows in Biomolecular Simulations: POSTPONED TO FALL 2020

Organizers: Shentenu Jha and Sam Ellis Location:  Virginia Tech Executive Briefing Center in Arlington, Virginia Dates: Expected Fall...

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MOPAC User Groups

• Date: June 7th, 2023 (11 am – 3:20 pm Eastern Time)

• Location: Virtual

• Registration Link:

• Agenda: 15 minutes for talks, 5 minutes for questions