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v4.3.0: End-to-end interactive dashboard; dedicated command builder site

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@michal-g michal-g released this 12 Jun 18:38
· 98 commits to main since this release

This major feature release includes the first full end-to-end version of the interactive dashboard web app originally added in #474, still launched using cryodrgn dashboard <outdir>, with additional support for landscape analyses and more fully fleshed out features in the already-existing interfaces.

dashboard_demo_stitched_titlecards_.60s.mp4
  • New 3D volume landscapes page (/landscape-full-3d)
    Adds a 3D scatter interface in vol_pca_all.pkl space (from cryodrgn analyze_landscape_full). You can filter points using the legend, then select 3D points to create volume trajectories and animations, all while viewing ChimeraX animations.

  • New Volume sketched landscape explorer page (/landscape-volpca)
    Lets you explore k-means sketch volumes in PCA space from cryodrgn analyze_landscape for a selected epoch. Select volumes, preview them as animated GIFs (cycling through or rotating tiled grid), and save GIFs under landscape.N/kmeansK/.

  • Multi-region selection in particle explorer page
    After creating one lasso selection, users can now create additional lasso selections that are appended to the first selection, with separate colors used for each region, and the option to save all selections together as one .pkl indices file or as separate indices files.

  • Color legend / palette controls were revamped across views
    The particle explorer, pair-plot generator, latent 3D, and trajectory creator now use a more unified legend UI with a collapsible palette menu for continuous color covariates (instead of the older palette-radio style). Selections can be made using thresholds or ranges drawn in histogram legends.

  • Explorer scatter rendering is more responsive at large point counts
    The dashboard now prefers WebGL/Plotly Scattergl rendering when plotting large numbers of particles to avoid tendency to hang with SVG-only rendering (#476).

  • Improved layout design along with better UI menu responsiveness and robustness across all interfaces, along with more information (e.g. regarding the cryoDRGN version used in the experiment) in the web app header region.

We have also created a new browser-based command builder — automatically re-deployed upon every version release — that makes it easier to generate commands for use with tools such as train_vae, abinit, and analyze.

The following issues have also been addressed in this release:

  • cryodrgn parse_pose_csparc can automatically detect the resolution saved in a .cs file instead of always relying on the user to specify -D (#475)
  • cryodrgn eval_vol functionality has been extended to cover abinit outputs
  • adding support for 1-indexed clusters to select_clusters command (see discussion in #476)
  • fixing "Intel MKL FATAL ERROR: Cannot load ... libtorch_cpu.so" errors in CI/CD testing
  • fixing unit mismatch and missing column errors in parse_relion command (#475)