2020.1.1 Release


  • A new Quick Search functionality allows searching and filtering of molecules by title and other text fields. The search is available from the Active Data bar and allows * and ? wildcards.

  • Cube metrics graphs are now available in the “…” Cube menu on the Job Status page.

  • External Collections are now supported. This allows existing data on S3 to be used without making a copy and incurring additional storage fees.

  • A change was made affecting GPU package manifests which speeds up jobs, but breaks uploads of old packages.

  • Job disk quotas are now enforced in order to protect jobs from other tasks running on the same instance.

  • Cube home file systems are now mounted read-only, and scratch is mounted no-exec.

  • Multiple datasets and files can now be used together for a single parameter when launching a job.


New Features

  • The layout for scaling groups on the System page has been simplified.

  • The Active Data bar has an improved layout.

Minor Bug Fixes

  • System Status and Notifications pop-over panels are now easier to close.


New Features

  • The News Feed has been removed from the Home page.

  • Users are now added automatically as project members when sharing resources.

Minor Bug Fixes

  • The Expenses chart has been enlarged.

Project Summary

New Features

  • Saved Views are now listed in chronological order on the Project page. A Saved View is a snapshot of the Active Data displayed in the Analyze page, and combines data with visual presentation.

Minor Bug Fixes

  • Users can now remove project tags from datasets.

Project Data

New Features

  • Tags are now color-coded. Private tags are yellow, Project tags are pink, and System tags are light blue.

  • When viewing datasets with multiple molecule columns, users can now select which molecule column to show in the Card Viewer.

Minor Bug Fixes

  • Users can no longer apply project tags to non-project resources.

3D Viewer

New Features

  • A new viewer Toolbar layout has been added.

  • Rendering styles for 3D molecules, along with viewing transformation and clipping planes, are now included in shared views.

  • Jobs run from the Analyze and 3D Modeling pages are now tagged.

Major Bug Fixes

  • An issue that affected the correct perception of protein-ligand interactions has been fixed.

Minor Bug Fixes

  • An issue in which the Triage slider in the Viewer list would sometimes disappear has been fixed.

  • A bug which caused the the Triage slider to malfunction when multiple datasets are in triage mode was corrected.


New Features

  • A new Quick Search functionality that filters molecules by title and other text fields has been added to the Active Data bar.

  • Plot axes labels now have bigger fonts by default.

  • Data points can now be plotted or colored by dataset membership.

  • Notches can now be applied to boxplots. This feature is available under the Plot Options of the Boxplot.

Major Bug Fixes

  • A bug that caused the Scatterplot to miss some of the points when coloring a categorical column has been fixed.

  • A warning is now displayed if the Property Calculation microservice is not available.

Minor Bug Fixes

  • The spreadsheet row background colors no longer shift when scrolled vertically or horizontally.

  • A bug that caused the legend position to move when viewing Trellis plots has been fixed.

Floe UI

New Features

  • Jobs page:

    • Jobs are now tagged.

    • Cube details (in addition to Cube metrics) are now available in the “…” Cube menu.

    • The Job Priority slider on the Job Status page has been removed.

  • Floe Editor:

    • Minor improvements to layout management

Minor Bug Fixes

  • Floe Editor:

    • Performance when navigating between Floe page tabs has been improved.

  • Jobs page:

    • Job errors on the Job Status page are now clearly reported.

    • Some issues that impacted the deletion of jobs from the Jobs list have been fixed.

    • Navigating to the Floes page after starting a job has been improved.


New Features

  • An Account Balance History bar graph has been added to the Accounting page.

  • A simplified view for scaling groups has been added to the System page.

  • An organization can now use a custom pip configuration.

  • An organization can now use a custom TLS certificate.