Curated Data
Openness
Contribution: from MAX and moderated contributions
Data access: open to all
The Materials Cloud DISCOVER sections showcase curated sets of scientific results, presented in the form of dedicated interactive visualizations, providing intuitive interfaces and context. Templates to write an interactive, containerized visualization are available, like the structure-property visualizer.
The research data underlying the DISCOVER sections is deposited in corresponding ARCHIVE records and citable through DOIs.
Data on demand
Openness
Contribution: from MAX and moderated contributions
Data access: open to all
The AiiDA lab web platform gives users access to intuitive Jupyter apps that make it easy to run complicated simulation workflows. In particular, users can connect to their personal AiiDA environment in the cloud, where they can run and manage workflows through tailored and lightweight web applications in the browser.
The intuitive graphical interface of AiiDA lab apps makes them an ideal platform of sharing turnkey solutions with non-specialists, be it computational scientists from another discipline or experimental researchers with no programming experience.
Public repository
Openness
Contribution: open to all
Data access: open to all
The Materials Cloud ARCHIVE is an open-access, moderated repository for research data in computational materials science.
It provides globally unique and persistent digital object identifiers (DOIs) for every record, and all data are guaranteed to be preserved for at least 10 years after deposition, irrespective of future funding decisions. The Materials Cloud ARCHIVE is non-commercial and free of charge.
FAIR data sharing
Openness
Contribution: open to all
Data access: open to all
The combination of the Materials Cloud ARCHIVE, DISCOVER and EXPLORE is designed to make data findable, accessible, interoperable and reusable (FAIR). In particular, the ARCHIVE provides findability with DOIs and reusability with open licenses, and DISCOVER provides accessibility by curating data and making them easy to understand. The interactive EXPLORE interface adds further layers of accessibility, interoperability and reproducibility, providing direct access to the raw and complete AiiDA provenance. In AiiDA, for every calculation, a set of standardized data and metadata is recorded in a dedicated database, so that all information needed to reproduce the outputs is preserved and easy to access. The Materials Cloud EXPLORE interface allows users to browse the complete AiiDA graph; all nodes of the graph, representing either calculations or pieces of data, can be inspected and are linked to their parent and children nodes via the provenance browser. Dedicated visualizations make the content of nodes intuitively accessible, and allow to download individual pieces of data (such as crystal structures or input files).
