This must go well beyond a web portal to create an interactive platform integrating simulation, experimental data, and analytics, while leveraging semantic web technologies to support the federated storage of data across geographically dispersed sites.
SWAGGER EDITOR WEB VS DESKTOP SOFTWARE
There is a strong need to develop a collaborative scientific research software platform that enables researchers to define concepts and hypotheses, add them, and analyze integrated sets of experimental and computational data to offer effective knowledge discovery more universally. This same multidisciplinary approach is becoming essential in chemical and biological research and development, in the design of new chemicals, biomolecules and drugs, or new energy efficient chemical production processes. Materials Genome Initiative the development of new and novel materials has become a multidisciplinary research endeavor where complex simulation and experimental data get integrated, and analytics such as machine learning techniques are utilized to aid in scientific discovery. However, it is all too common for experimental and computational studies to take place independently, with large scale studies often involving heroic efforts developing one-off software projects dedicated to the specific resource, such as the Protein Data Bank (over 100,000 experimental structures), Materials Project (over 33,000 simulated materials), and the Clean Energy Project (over 2.3 million calculated structures).ĭriven by the U.S.
Its importance is reflected in the number of codes that can perform simulations over a broad range of levels of theory and length scales , and the enormous investments in experimental facilities that can also produce large data that is often difficult or impossible to reproduce. The in-silico determination of chemical and materials properties is a vital capability that drives innovation across many market sectors.
These structures were developed to make it easy to process data across different languages, and send data to a JavaScript-based web client. Data gets stored using JSON, extending upon previous approaches using XML, building structures that support computational chemistry calculations. It also has the goal of offering federated instances, that can be customized to the sites/research performed. The platform is designed to enable teams to reap the benefits of the connected web-going beyond what conventional search and analytics platforms offer in this area.
SWAGGER EDITOR WEB VS DESKTOP CODE
The platform was developed openly, and all source code hosted on the GitHub platform with automated deployment possible using Ansible coupled with standard Ubuntu-based machine images deployed to cloud machines. Existing desktop applications/frameworks were extended to integrate with high-performance computing resources, and offer command-line tools to automate interaction-connecting distributed teams to this software platform on their own terms. It offers pragmatic solutions to ensure that large and complex data sets are more accessible. The platform offers an interactive visualization and analytics environment that functions well on mobile, laptop and desktop devices. An end-to-end platform for chemical science research has been developed that integrates data from computational and experimental approaches through a modern web-based interface.
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