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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 ADAS Project is a self-funding (i.e. funded by participants) project consisting of most major fusion laboratories along with other astrophysical and university groups. As an implementation, it is an interconnected set of computer codes and data collections for modelling the radiating properties of ions and atoms in plasmas. It can address plasmas ranging from the interstellar medium through the solar atmosphere and laboratory thermonuclear fusion devices to technological plasmas. ADAS assists in the analysis and interpretation of spectral emission and supports detailed plasma models.
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.
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The Data Bank operates a computer program service related to nuclear energy applications. The software library collects programs, compiles and verifies them in an appropriate computer environment, ensuring that the computer program package is complete and adequately documented. This collection of material contains more than 2000 documented packages and group cross-section data sets. We distribute these codes on CD-ROM, DVD and via electronic transfer to about 900 nominated NEA Data Bank establishments (see the rules for requesters). Standard software verification procedures are used following an ANSI/ANS standard.
Online materials database (known as PAULING FILE project) with nearly 2 million entries: physical properties, crystal structures, phase diagrams, available via API, ready for modern data-intensive applications. The source of these entries are about 0.5M peer-reviewed publications in materials science, processed during the last 30 years by an international team of PhD editors. The results are presented online with a quick search interface. The basic access is provided for free.