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. […]
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, […]
Introducing MolSSI’s 2023-24 Software Fellows!
After reviewing many impressive applications, the MolSSI is delighted to announce that the Science and Software Advisory Board has selected our new 2023-24 Software Fellows! They are: Anja Conev, Rice University; Jeremy Leung, University of Pittsburgh; Diego Kleiman, University of Illinois, Urbana-Champaign; Ericka Miller, Case Western Reserve University; Augustine Onyema, Graduate Center, City University of New […]
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 […]
Introducing MolSSI’s 2022-23 Software Fellows!
After reviewing many impressive applications, the MolSSI is pleased to announce that the Science and Software Advisory Board has selected our new 2022-23 Software Fellows! They are: Melisa Alkan, Iowa State University Samuel Bekoe, University of California, Irvine Maria A. Castellanos, Massachusetts Institute of Technology Pratiksha Gaikwad, University of Florida Alexander Heide, University of Georgia Jiyoung Lee, […]