Design Hub history of changes


    • with the retirement of JChem Web Services Classic, Design Hub now requires JChem Microservices DB, IO, Structure Manipulation and Markush Enumeration modules, so new configuration options have been created to configure the location of these modules. For details please see the configuration guide


    • adjusted the layout of hypotheses editing on small screens

    • hypothesis pages can now be reordered by drag & dropping them

    • AWS S3 based filestore is now available using the filestoreImplementation option. For details please see the configuration guide

    • improved the performance of file attachments across the application by generating and loading thumbnails of images where possible

    • the admin area now supports changing JChem Microservices DB molecule type and forcing the resyncronization of PostgreSQL content to JMS DB if needed

    • users can now register API keys to access the applications's public API. For details please see the API documentation

    • Design Hub has been upgraded to NodeJS v12 which delivered higher performance and easier memory configuration. For details please see the NodeJS release news

    • fixed an issue where an admin flash message / banner has overlapped content in the application

    • fixed an issue where a freshly created compound tag was not visible in the list of autocomplete suggestions on subsequent tag creation

    • fixed an issue where the compound list didn't properly display the priority of each compound

    • MarvinJS updated to 20.8.0


    • plugins now display short error messages straight from the problem source if the results cannot be fetched to prevent displaying inconsistent results or empty screens when an error occurred

    • compounds can now be starred (watched) in all views to easily gather updates made on them

    • improved the error messages displayd during design set sharing

    • adjusted the layout of large kanban boards so that column headers stick to the top of the screen

    • search results can now be paged based on the number of estimated hits

    • fixed an issue where an unordered SQL query mixed up the result of design set sharing

    • dropped the /databases volume declaration of the docker image of Design Hub


    • an administrative panel is now available where configuration of content statuses, Marvin JS toolbar details, JChem Microservices addresses and user flash messages / banner messages can be configured

    • from this version anonymous daily aggregate statistics are now collected in a PostgreSQL database schema called usage. Migration from the previous JSON file store is handled automatically by the database-migrator module

    • fixed an issue where deleted compounds were counted in the statistics of a design set

    • adjusted the layout so that virtual / real compound IDs no longer overlap with portions of the compound 2D image

    • MarvinJS updated to v20.4.0


    • a dashboard is now available as the starting page of the application with latest designs, latest comments and updates from projects you track

    • it is now possible to load plugins from remote sources where the plugins implement a simple REST API matching the concepts of previous NodeJS plugins. For details, please see the respective developer guides


    • from this version PostgreSQL database schemas are used to store data corresponding to a domain configured in Design Hub. The migration from the public schema is automatically handled by the database-migrator module, but if the pre-programmed conditions are not met, instructions will be printed in the console

    • fixed an issue where periodic check in the external registry only processed the first compound of a batch

    • active session data is now stored in a PostgreSQL database schema called session


    • search page now displays an estimated number of records matching the configured criteria


    • clicking on a compound in a design set's overview now loads the single compound view, instead of the editor

    • added large floating tooltips to kanban boards with additional details of a hypothesis and design set

    • improved the labels on the docker images to help manage them


    • added a single compound view with attachments, tagging, a discussion board and a way to view all calculated data


    • fixed an issue where hypothesis / design set tags couldn't be removed using the kanban boards

    • fixed an issue where hypothesis lists displayed cached images instead of up-to-date versions

    • fixed an issue where old versions of MarvinJS were loaded in the browser after an update


    • initial release