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The ColabFit Exchange is an online resource for the discovery, exploration and submission of datasets for data-driven interatomic potential (DDIP) development for materials science and chemistry applications. ColabFit's goal is to increase the Findability, Accessibility, Interoperability, and Reusability (FAIR) of DDIP data by providing convenient access to well-curated and standardized first-principles and experimental datasets. Content on the ColabFit Exchange is open source and freely available.
The CERN Open Data portal is the access point to a growing range of data produced through the research performed at CERN. It disseminates the preserved output from various research activities, including accompanying software and documentation which is needed to understand and analyze the data being shared.
OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.
Constellation is a digital object identifier (DOI) based science network for supercomputing data. Constellation makes it possible for OLCF researchers to obtain DOIs for large data collections by tying them together with the associated resources and processes that went into the production of the data (e.g., jobs, collaborators, projects), using a scalable database. It also allows the annotation of the scientific conduct with rich metadata, and enables the cataloging and publishing of the artifacts for open access, aiding in scalable data discovery. OLCF users can use the DOI service to publish datasets even before the publication of the paper, and retain key data even after project expiration. From a center standpoint, DOIs enable the stewardship of data, and better management of the scratch and archival storage.