HTML5 Web Application

The main entry point to to the platform is a state-of-the-art web application developed. It offers a landing page, with anonymous access to public data, authentication, and access to notebooks, molecules, calculations and profile services once authenticated. Both the AWS instance using Google's OAuth provider and the NERSC instance integrate with their authentication provider negating the need to create new accounts. The profile page can be used to associate Twitter and/or ORCID identifiers with an account, and access to a summary of the notebooks, molecules, and calculations authored/initiated by the account's owner.
Basic search is offered to filter structures and calculations based on the molecule name, InChI, or SMILES. Internal navigation is possible, cross linking of all calculations associated with a specific molecule and vice versa. In the detailed page of a structure or calculation there are links to download the data in various formats, such as Chemical JSON, XYZ, SDF, or the raw output of the simulation code.
The application is written using the React + Redux framework in a mixture of JavaScript and TypeScript. The server component is completely decoupled from the application, and communication between the two only happens via the REST API. For the 3D visualization elements we rely on the reusable <oc-molecule/> component that was discussed earlier, with the same look and feel as in the Jupyter notebooks and the static web page examples. They are coupled with the search, linking, and other facilities to provide an interactive view of the data present on the instance being explored.