Materials Cloud is a platform designed to enable open and seamless
sharing of resources for computational science, driven by applications
in materials modelling. It hosts (1) archival and dissemination services
for raw and curated data, together with their provenance graph, (2)
modelling services and virtual machines, (3) tools for data analytics,
and pre-/post-processing, and (4) educational materials. Data is citable
and archived persistently, providing a comprehensive embodiment of
entire simulation pipelines (calculations performed, codes used, data
generated) in the form of graphs that allow retracing and reproducing
any computed result. When an AiiDA database is shared on Materials
Cloud, peers can browse the interconnected record of simulations,
download individual files or the full database, and start their research
from the results of the original authors. The infrastructure is agnostic
to the specific simulation codes used and can support diverse
applications in computational science that transcend its initial
materials domain.
Materials cloud databases include: