This Hub provides a community-driven data repository and curation service for molecular structures, models, therapeutics, and simulations related to computational research related to therapeutic opportunities for COVID-19 (caused by the SARS-CoV-2 coronavirus). This is a public process and we encourage people to not only submit data through Pull Requests or reaching out for assistance in uploading large quantities of data like trajectories. The hub is maintained and sponsored by The Molecular Sciences Software Institute (MolSSI) and BioExcel.
The data available and submitted through the Hub are meant to provide a central reference for the community simulation data at all levels of the simulation generation, running, and analysis stages. The nature of this pandemic requires rapid and flexible response. The Hub, and the data within are designed to get the information out quickly by providing the following information in a centralized location:
For more information about our COVID-19 Hub, please checkout the link below: