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Plugins

NameDateVersionSummary
Dendrogram2025-07-071.4.3
NLP2025-07-041.2.4
NLP2025-07-041.2.3
NLP2025-07-041.2.2
Marvin2025-07-043.1.35
Chem2025-07-031.15.2
Charts2025-07-031.5.5
File Editors2025-07-031.2.0
Dendrogram2025-07-011.4.2
Compute22025-06-301.3.8
- Fix adding steps from pipeline view
ComputeUtils2025-06-301.43.10
Jira Connect2025-06-251.1.6
Jira Connect2025-06-241.1.5
Pyodide2025-06-191.2.1
* Fixed bug that happened during code generation for dataframes
Excalidraw2025-06-191.0.0
Dendrogram2025-06-161.4.1
* Fix loading with empty table, add default options for molecules and sequences
Hit Triage2025-06-111.7.4
Compute22025-06-091.3.7
- Add StartWorkflow return
ComputeApi2025-06-090.6.3
Compute2025-06-091.43.10
- Sensitivity Analysis UI update
ComputeUtils2025-06-091.43.9
Bio2025-06-042.22.1
@datagrok-libraries/webcomponents-vue2025-06-040.1.3
WebComponents2025-06-031.2.4
- Allow all users to use
Compute22025-06-031.3.6
- Allow all users to use
Compute2025-06-031.43.9
- Update deps
Compute22025-06-031.3.5
- Help tweaks
ComputeApi2025-06-030.6.2
ComputeUtils2025-06-031.43.8
Bio2025-06-032.22.0
* MSA header tracks (Conseration and WebLogo)
* Tooltips for WebLogo header
* Speedup calculations for conservation and weblogo, corrected limits
Bio2025-06-022.21.12
Peptides2025-06-021.23.13
Charts2025-05-291.5.4
* Charts: Sunburst: Limit number of rendered columns
Peptides2025-05-291.23.12
Bio2025-05-292.21.11
* Add faster methods for getting monomers at given positions
Jira Connect2025-05-281.1.4
Jira Connect2025-05-281.1.3
Added api
CDD Vault Link2025-05-281.0.4
* Some UI fixes
* Having only one view opened in a preview at once
Compute2025-05-281.43.8
Compute2025-05-281.43.7
- Help tweaks
Compute22025-05-281.3.4
- Vue and vueuse versions Bump
- Help tweaks
@datagrok-libraries/webcomponents-vue2025-05-280.1.2
Jira Connect2025-05-281.1.2
ComputeUtils2025-05-281.43.7
ComputeUtils2025-05-281.43.6
Charts2025-05-271.5.3
* 3377: Sunburst: Tooltip displays wrong number of rows
Jira Connect2025-05-261.1.1
SureChEMBL2025-05-261.1.2
* Some cache fixes
Peptides2025-05-261.23.11
* Fix model loading with empty cluster selection
Marvin2025-05-233.1.34
CDD Vault Link2025-05-221.0.3
* Cache fixes
* Implemented routing
Bio2025-05-222.21.10
* Fix all monomers script
* Optional Sequence scrolling header for short sequences
Compute22025-05-211.3.3
- Fix step reordering ui sync
CDD Vault Link2025-04-011.0.2
* Added 'Protocols' and 'Collections' links to initial page
Bio2025-05-152.21.9
* Correct scrolling header alignment with sequences.
* Correct detection of max length sequence
* Better display of current position
* Fix keyboard navigation for sequence position scroller
Bio2025-05-152.21.8
Peptides2025-05-151.23.10
* Improved description for position statistics viewer
Bio2025-05-142.21.7
* Enable Header scrolling for non-MSA
Peptides2025-05-141.23.9
* Reveerse events for Position statistics viewer
Bio2025-05-142.21.6
* Sequence position scrolling header
Peptides2025-05-121.23.8
* Performance improvements to Peptide viewers
* LST white space reduction
* Bug fixes
* Position statistics viewer
ComputeApi2025-05-130.6.1
Bio2025-05-122.21.5
* Shifted sequence rendering support
Peptides2025-05-121.23.7
Charts2025-05-121.5.2
* 3298: Tree:
Bio2025-05-122.21.4
* Support monomer renderer in viewers
Diff Studio2025-05-121.3.6
Compute22025-05-121.3.2
- Compute-utils update
Compute2025-05-121.43.6
- Sensitivity Analysis update
ComputeUtils2025-05-121.43.5
Usage Analysis2025-05-092.4.1
Enamine ChemSpace2025-05-061.2.3
Fixed token request
Compute2025-05-021.43.5
- `OutliersSelectionViewer` improvements
Sequence Translator2025-05-021.9.5
Compute22025-05-021.3.1
- Small changes/fixes
Compute2025-05-021.43.4
- Compute2 small changes/fixes
WebComponents2025-05-021.2.2
@datagrok-libraries/webcomponents-vue2025-05-020.1.1
@datagrok-libraries/webcomponents2025-05-020.1.1
ComputeApi2025-05-020.6.0
ComputeUtils2025-05-021.43.4
Hit Triage2025-05-011.7.3
* Fix descriptors tree not scrolling
Bio2025-05-012.21.3
* Similarity search viewer: Fix for clearing selection
* Substructure filter: Corrected even management for setting separator
Marvin2025-04-303.1.33
Peptides2025-04-301.23.6
* Fix Peptides analysis not starting on data with existing position columns
Bio2025-04-282.21.2
Monomer Manager:
* Style fixes
* Calculations of missing monomer properties when saving/loading monomer libraries
* Date column fixes
* Null meta fixes
Tutorials2025-04-251.8.5
Updated UI in the Multivariate Analysis tutorial
EDA2025-03-281.4.3
Updated grok tools
EDA2025-03-281.4.2
Updated Multivariate Analysis:
* Implemented the Quadratic PLS regression
* Improved MVA and PLS UI/UX
Compute22025-04-241.3.0
- Update Compute2 API
ComputeApi2025-04-240.5.0
ComputeUtils2025-04-241.43.3
MLflow2025-04-241.1.1
Docking2025-04-241.3.2
Pyodide2025-03-291.2.0
Chem2025-04-221.15.1
* #3302: Multiple scaffold trees: Naming/coloring should be saved in projects
Peptides2025-04-221.23.5
* Fix invisible Scroller in mutations cliffs
Bio2025-04-222.21.1
* Weblogo: Fix behavior, correct fitting, reaction to slider, property harmonization
* Better formatting of source monomer lib name
* Support of sequence space for custom notation
Tutorials2025-04-221.8.4
Fixed the behavior of hints in the Parameters Optimization tutorial
Diff Studio2025-04-221.3.5
Compute22025-04-221.2.2
- Compute-utils update
Compute2025-04-221.43.1
Updated the Fitting feature:
- Target columns selection
- Fitting results displaying
- Goodness of fit viewers creation
ComputeUtils2025-04-221.43.2
Enamine ChemSpace2025-04-221.2.2
Removed swagger file
Compute22025-04-211.2.1
- Fix npm build
Peptides2025-04-211.23.4
* Fixes for selection table for DG null values
* Correction of unselection for standalone viewers
* Cosmetic corrections to null values in predictions
Power Grid2025-04-181.6.2
* Removed dependency from datagrok=tools
Peptides2025-04-171.23.3
Selection widget: value retrieving fix
Biostructure Viewer2025-04-171.4.2
* Error handling for ligands and semtype check fix
Tutorials2025-04-111.8.3
Updated the Parameters Optimization tutorial
Bio2025-04-142.21.0
* Move separator refinement to seq-handler stage
* Add support for custom notation macromolecule difference rendering
Peptides2025-04-141.23.2
* Manual setting of notation providers to tables
Bio2025-04-142.20.5
* Non blocking behavior of OCL mol converter
Helm2025-04-142.10.0
Non-Drawing HWE for faster pseudo-molfile retrieval
Diff Studio2025-04-141.3.4
ComputeUtils2025-04-141.43.1
Compute2025-04-141.43.0
- Compute2 related changes/fixes
WebComponents2025-04-141.2.1
@datagrok-libraries/webcomponents-vue2025-04-140.1.0
ComputeApi2025-04-140.4.1
@datagrok-libraries/webcomponents2025-04-140.1.0
ComputeUtils2025-04-141.43.0
@datagrok-libraries/dock-spawn-dg2025-04-140.1.0
ChEMBL2025-04-101.4.4
Reinvent42025-04-101.0.1
Diff Studio2025-04-101.3.3
Compute2025-04-101.42.2
Updated Parameters Optimization:
- Added progress bar;
- Target columns selection
- The hide similar curves feature
- Navigation for users
ComputeUtils2025-04-101.42.1
Hit Triage2025-04-091.7.2
* Ability to reorder/hide functions in new template or functions dialog.
Hit Triage2025-04-091.7.1
Sequence Translator2025-04-081.9.4
* Linearization fix for polytool convert.
Bio2025-04-082.20.4
* Fix linearization, wrong rgroups and notation problems for toAtomicLevel
Power Grid2025-04-081.6.1
Notebooks2025-04-081.3.0
Bug fixes, Docker container with jupyter_notebook server
Sequence Translator2025-04-081.9.3
SureChEMBL2025-04-071.1.1
* Adjusted container resources
Marvin2025-04-073.1.32
Reinvent42025-04-011.0.0
* Integration with the Reinvent4
Tutorials2025-04-041.8.2
Updated Demos
Admetica2025-04-021.2.2
ChEMBL2025-04-011.4.3
* Fixed MolregnoInfo panel
NLP2025-04-021.2.1
Admetica2025-04-011.2.1
Bio2025-04-012.20.3
Biostructure Viewer2025-04-011.4.1
Peptides2025-04-011.23.1
Diff Studio2025-04-011.3.2
EDA2025-04-011.4.1
Tutorials2025-03-311.8.1
Updated the Scientific Computing tutorials with respect to new Model Hub UI
CDD Vault Link2025-04-011.0.1
* Fixed error when receiving empty result
Clinical Case2025-04-011.3.2
* Modified application initial view
Hit Triage2025-04-011.7.0
* Fix not saving campaigns
BioNeMo2025-04-011.3.1
Charts2025-04-011.5.1
* GROK-17944: Multiplot: New plot is added to CloseAll context menu
Clinical Case2025-03-311.3.1
CDD Vault Link2025-04-011.0.0
Integration with CDD Vault registration system.
Bio2025-03-312.20.2
* Detectors: more sensitive for very likely column names
* Add to atomic level panel widget
Sequence Translator2025-03-311.9.2
Samples2025-03-311.4.1
Sequence Translator2025-03-311.9.1
* Combination of sequence sets dialog.
Diff Studio2025-03-311.3.1
Curves2025-03-311.8.0
Compute2025-03-311.42.1
- Fix browser tree path
Clinical Case2025-03-311.3.0
ChEMBL2025-03-311.4.2
* Fixed error in demo when result is null
Charts2025-03-311.5.0
* 3307: Tree viewer not clickable upper node
GIS2025-03-301.3.1
Bio2025-03-292.20.1
* Improve Activity cliffs demo
* Fix Sim/Div viewers
ChEMBL2025-03-291.4.1
* Correct help display in Database Queries demo
Enamine ChemSpace2025-03-291.2.1
Moved application under Chem section in browse tree
WebComponents2025-03-301.2.0
- API updated for 1.25.0
@datagrok-libraries/dock-spawn-dg2025-03-290.0.3
Biostructure Viewer2025-03-291.4.0
SureChEMBL2025-03-291.1.0
ChEMBL2025-03-291.4.0
* Datagrok api >= 1.25.0
Dev Tools2025-03-291.6.0
Compute22025-03-301.2.0
- API updated for 1.25.0
Compute2025-03-301.42.0
- Rewrite to better support browse view.
NMRium2025-03-291.2.0
Admetica2025-03-291.2.0
Sequence Translator2025-03-291.9.0
Ketcher Sketcher2025-03-292.3.0
Peptides2025-03-291.23.0
PubChem2025-03-291.3.0
PhyloTree Viewer2025-03-291.4.0
Bio2025-03-292.20.0
NLP2025-03-291.2.0
Jira Connect2025-03-291.1.0
Hit Triage2025-03-291.6.0
DrugBank2025-03-291.2.0
ChEMBL API2025-03-291.2.0
Dendrogram2025-03-291.4.0
Enamine ChemSpace2025-03-291.2.0
Datagrok api >= 1.25.0
Diff Studio2025-03-291.3.0
EDA2025-03-291.4.0
Usage Analysis2025-03-292.4.0
Tutorials2025-03-291.8.0
Updated demo features and the Scientific Computing tutorials with respect to new Browse UX
Power Pack2025-03-291.5.0
Arrow2025-03-291.3.0
Power Grid2025-03-291.6.0
Alation2025-03-291.3.0
SQLite2025-03-291.3.0
Chem2025-03-291.15.0
* #3273: Scaffold tree: add the ability to apply Scaffold tree colors to Scatterplot or other viewers
* #3302: Multiple scaffold trees: add the ability to apply Scaffold tree colors to Scatterplot
* #3314: Chem: Scaffold Tree: Demo improvements
ComputeUtils2025-03-291.42.0
Peptides2025-03-281.22.2
Marvin2025-03-283.1.31
Helm2025-03-272.8.3
Fix MAJOR bug with overcached renderer after using polytool rules
Helm2025-03-262.8.2
Fix Helm Service editor moving datagrok page up
Peptides2025-03-231.22.1
Peptides2025-03-221.22.0
* Fixed unhighlighting of header weblogo
* Harmonization of selection and counts in monomer-position and MPR viewers
* Added more comprehensive tooltips
GIS2024-03-201.2.1
* Remove JSON handling leaving only geo/topo json.
Power Pack2025-03-181.4.1
Peptides2025-03-171.21.7
* Fixes and improvements of Selection panel
BioNeMo2025-03-141.2.0
* Bionemo: Updated to support execution in a local environment
Usage Analysis2025-03-132.3.1
Peptides2025-03-131.21.6
* Fix demo and compatibility to older platform versions
Peptides2025-03-121.21.5
* Fix weblogo renderer with corrected colors and background corrections
* Improved mutation cliffs preview window with horizontal splitter
* Correct circle rendering in Monomer-Position viewer
* Mutations groups column in mutation cliffs pairs panel
Diff Studio2025-03-101.2.6
SureChEMBL2025-03-101.0.0
* Similarity search in locally deployed SureChEMBL database
* Substructure search in locally deployed SureChEMBL database
EDA2025-03-071.3.5
Vector distance functions support for dimensionality reduction on webGPU and without
Admetica2025-03-071.1.0
* Admetica: Demo application showcasing main functionality
Power Grid2025-03-071.5.5
* GROK-17680: ImageUrl: Supported images with Datagrok paths, added docs
ComputeUtils2025-03-071.41.3
ChEMBL API2025-03-061.1.4
Use fetchProxy to do requests. Updated tests.
Jira Connect2025-03-061.0.0
Package release to NPM
Diff Studio2025-03-061.2.5
Chem2025-02-241.14.0
* New improved MMP implementation
* Integration with Reinvent
* Copy molecule as image
* Context actions for chemical columns
Peptides2025-03-031.21.4
Fix SAR errors on nulling targets
NMRium2025-03-031.1.0
Content dependent view for opening NMRium
Helm2025-03-032.8.1
Power Grid2025-03-031.5.4
- 1.4.11
ComputeUtils2025-03-031.41.2
Peptides2025-02-281.21.3
MCL: Sparse matrix pruning to avoid browser crash
EDA2025-02-281.3.4
MCL: Updated ML library to support large MCL matrices
Charts2024-02-271.4.4
* #3249: Tree: Add cross-viewer selection
* 3245: Tree: Usability issues:
Enamine ChemSpace2025-02-251.1.6
Updated README
DrugBank2025-02-251.1.1
Refactoring
PubChem2025-02-251.2.3
README updated
Power Pack2025-02-241.4.0
Bio2025-02-202.19.0
* Correct conversion and highlighting of toAtomicLevel
* Added context actions
Compute2025-02-201.41.1
- FittingView: in-webworker parameters optimization of Diff Studio models
Diff Studio2025-02-201.2.4
ComputeUtils2025-02-201.41.1
Helm2025-02-202.8.0
Supporting all notations for hovering, conversion and context actions
Sequence Translator2025-02-201.8.0
* Support for enumeration in all notations
* fallback for polytool convert
* Corrected highlighting
EDA2025-02-201.3.3
* Updated the MVA demo
Compute22025-02-191.1.0
- API updated for 1.24.0
- RFV/CFV improvements
- Routing improvements
Compute2025-02-191.41.0
- ModelCatalog refactored
- API updated for 1.24.0
WebComponents2025-02-191.1.0
- Release for 1.24.0
@datagrok-libraries/webcomponents-vue2025-02-190.0.7
@datagrok-libraries/webcomponents2025-02-190.0.7
ComputeApi2025-02-190.4.0
ComputeUtils2025-02-191.41.0
Pyodide2025-02-181.1.0
* Enables usage statistic for script handlers
Usage Analysis2025-02-182.3.0
Enamine ChemSpace2025-02-171.1.5
* Updated tests
Bio2025-02-172.18.4
* ToAtomicLevel support for DNA/RNA
* Monomer manager: Fix correcting R-group lines
Helm2025-02-172.7.4
Fix Helm Splitter for marginal cases and tests
Helm2025-02-172.7.3
Support for DNA/RNA for hover and other effects
Diff Studio2025-02-131.2.3
MLflow2025-02-121.0.1
Adds boto dependency to the MLFlow container
NMRium2025-01-211.0.0
Add NMRium to datagrok. preview ability for .nmrium and JDOL files
Bio2025-02-102.18.3
Correct molblock conversion in monomer library extraction
Diff Studio2025-02-071.2.2
Hit Triage2025-02-071.4.4
* Fix permission check for admin members
* Add Default file storage for campaign files
@datagrok-libraries/dock-spawn-dg2025-02-060.0.2
Biostructure Viewer2025-02-061.3.3
* * #3244: BsV: Does not maintain opened structure file
Hit Triage2025-02-061.4.3
* Fix campaign auto-naming when creating new campaigns
Peptides2025-02-031.21.2
Correct Sizing of mutation cliff grids
EDA2025-02-031.3.2
* Add History support in MCL Dialog
Bio2025-01-222.18.2
Improve grid cell renderer
Hit Triage2025-02-031.4.2
Correctly set semantic types for all columns in joining dataframes
Helm2025-01-212.7.2
Support for async rendering in non-grid views
Diff Studio2025-01-311.2.1
Hit Triage2025-01-311.4.1
* Support current molecule sending to designer functions
* Support multiple molecule columns in joining dataframe
Charts2024-01-301.4.3
* #3221: Tree: Improvements:
Biostructure Viewer2025-01-211.3.2
Fix for renderers in non-grid views
Compute2025-01-281.40.4
- ModelHandler: help disable sync
ComputeUtils2025-01-281.40.4
Compute2024-12-281.40.3
- ModelHandler: help fix
ComputeUtils2025-01-281.40.3
ComputeApi2025-01-270.3.2
ComputeUtils2025-01-271.40.2
Marvin2025-01-163.1.30
ComputeApi2025-01-160.3.1
ChEMBL2025-01-161.2.2
* Fixed 'Compound Names' query
Hit Triage2025-01-161.4.0
* Support adding tables to hit design campaigns
* Support molecular generation functions such as reinvent
Ketcher Sketcher2025-01-142.2.3
* Some additional styles fixes
Ketcher Sketcher2025-01-142.2.2
* Fixed styles of selectors
Tutorials2025-01-101.7.3
Added scientific computing tutorials:
* Differential equations
* Sensitivity analysis
* Parameters optimization
Peptides2025-01-101.21.1
LST: Fix flickering and incorrect rendering in some cases
Biostructure Viewer2025-01-091.3.1
Support PDB-ID renderer in tooltips
Compute22024-12-251.0.0
- Initial release
Peptides2025-01-061.21.0
Enable Project saving for SAR analysis
Chem2025-01-061.13.1
EDA2025-01-061.3.1
* Rework MCL Viewer
Helm2024-12-302.7.1
Moved some tests from Bio package to Helm package (for Bio not to depend on Helm)
Bio2024-12-302.18.1
* Removed dependency from Helm package
* Moved substructure filter types to bio library
* Updated tests
Tutorials2024-12-271.7.2
Tutorials2024-12-271.7.1
PubChem2024-12-271.2.2
Added more tests
ChEMBL API2024-12-271.1.2
Added more tests
ChEMBL2024-12-261.2.1
* Moved Chemical Databases demo to Chembl package from Chem
Docking2024-12-261.2.0
Diff Studio2024-12-251.2.0
WebComponents2024-12-251.0.0
- Initial release
Power Grid2024-12-251.5.3
Peptides2024-12-251.20.0
Sequence Translator2024-12-251.7.0
Compute2024-12-251.40.1
- History fixes and removing obsolete API calls
ComputeUtils2024-12-251.40.1
Bio2024-12-252.18.0
BioNeMo2024-12-251.1.0
Power Grid2024-12-241.5.2
Helm2024-12-242.7.0
Power Grid2024-12-241.5.1
Biostructure Viewer2024-12-241.3.0
ChEMBL2024-12-241.2.0
Samples2024-12-241.3.0
Pyodide2024-12-241.0.1
PhyloTree Viewer2024-12-241.3.0
Dendrogram2024-12-241.3.0
EDA2024-12-241.3.0
Power Grid2024-12-241.5.0
Power Pack2024-12-241.3.0
Tutorials2024-12-241.7.0
Arrow2024-12-241.2.0
SQLite2024-12-241.2.0
ComputeApi2024-12-240.3.0
@datagrok-libraries/webcomponents-vue2024-12-240.0.6
ComputeUtils2024-12-241.40.0
@datagrok-libraries/webcomponents2024-12-240.0.6
@datagrok-libraries/dock-spawn-dg2024-12-240.0.1
@datagrok-libraries/webcomponents2024-12-240.0.5
Charts2024-12-191.4.2
* #3196: Charts: Sunburst causes performance issues
Enamine ChemSpace2024-11-181.1.4
* Added function to add Chemspace ids via 'Add new column' dialog
* Highligh chemspace_id semantic type
Bio2024-12-112.17.6
* Add monomer manager app view with library dashboards
* Improve detectors
Hit Triage2024-12-111.3.11
* Add loader to campaigns app view
Peptides2024-12-101.19.1
Fix JS-API related changes
Bio2024-12-092.17.5
Monomer manager: Correct loading.
ChEMBL2024-12-061.1.6
* Add Search integrated queries
Hit Triage2024-12-041.3.10
* Bump dependencies versions
Usage Analysis2024-12-032.2.1
BioNeMo2024-11-291.0.0
* Bionemo: Integration with EsmFold and DiffDock models
* Bionemo: Add demos
Biostructure Viewer2024-11-291.2.4
* GROK-11759: BsV: Switch molecule representation (cartoon, balls and sticks)
Hit Triage2024-11-291.3.9
* Enable working with molblocks without overwriting original data with smiles.
* Template layouts, data sync.
Bio2024-11-282.17.4
EDA2024-11-271.2.8
EDA2024-11-271.2.7
Sequence Translator2024-11-271.6.4
* PolyTool: linearization of single sequence molecules
* Enumerator: Added whole library enumeration
Bio2024-11-272.17.3
Monomer managers as apps
Compute2024-11-251.39.7
- Added method to render model preview in BrowseTree
ComputeUtils2024-11-251.39.7
Biostructure Viewer2024-11-221.2.3
Moved Context menu items to detector
Sequence Translator2024-11-221.6.3
Moved Context menu items to detector
ComputeUtils2024-11-221.39.6
Power Grid2024-11-211.4.11
Power Pack2024-11-201.2.4
Hit Triage2024-11-201.3.8
* Add Campaign name setting and changing.
Sequence Translator2024-11-171.6.2
Bio2024-11-192.17.2
* Support Sequence renderer resizing
Diff Studio2024-11-181.1.6
PubChem2024-11-181.2.1
Helm2024-11-182.6.0
Correct helm loading
Power Grid2024-11-181.4.10
* Grid scrolling and current row fixes for pinned columns
Enamine ChemSpace2024-11-181.1.3
* GROK-17022: Chemspace: opening Similar in context panel causes errors
Hit Triage2024-11-171.3.7
* Add Package level management of default sharing permissions.
Sequence Translator2024-11-151.6.1
Bio2024-11-152.17.1
* Fix Tests
* Fix Fix monomer manager styles
* Fix Monomer manager incorrect loading
* Add R-groups validations
Helm2024-11-152.5.10
Fix async renderer invalidation on cached rendering
Sequence Translator2024-11-141.6.0
Power Pack2024-11-131.2.3
* #3146: Add new columns: Error on calculated columns validation if a complex formula is pasted
* #3147: Add new columns: Columns are not calculated for some formulae inside if clause
Tutorials2024-11-121.6.0
Power Grid2024-11-081.4.9
MLflow2024-11-081.0.0
Package release for NPM.
Hit Triage2024-11-081.3.6
* Correct grouping of campaigns table, Added author/last modified user info.
Hit Triage2024-11-071.3.5
Correct readme links
Hit Triage2024-11-071.3.4
* Groupping of campaigns
* Status change of campaigns
Compute2024-11-071.39.6
- ModelCatalog: Added intergration with BrowseTree
Power Grid2024-11-061.4.8
Compute2024-11-061.39.5
- RFV: Added validation rules for export options
- ModelCatalog: Fixes for JS API 1.22
- RFV: Moved JSON loading to TestRunner menu for Developers
ComputeUtils2024-11-061.39.5
Sequence Translator2024-11-061.5.3
Sequence Translator2024-11-061.5.2
Sequence Translator2024-11-061.5.1
Bio2024-11-062.17.0
Cell renderer: Harmonize macromolecule renderers
Power Grid2024-11-061.3.2
EDA2024-11-051.2.6
Fixed:
* Samples naming in Multivariate Analysis
Power Grid2024-11-051.4.7
EDA2024-11-051.2.5
Fixed:
* Labels in Multivariate Analysis
Ketcher Sketcher2024-11-052.2.1
* Fixed styles
EDA2024-10-311.2.4
Fixed:
* Labels and help links in the PLS tools
* Fixed k-NN imputer description
* PCA computations
Sequence Translator2024-11-041.5.0
Peptides2024-11-011.19.0
Migrate to new seqHelper API
Helm2024-11-012.5.9
Correct initialization of the Helm
Sequence Translator2024-11-011.4.10
Helm2024-10-312.5.8
Bio2024-11-012.16.9
Correct package initialization
Bio2024-10-312.16.8
Biostructure Viewer2024-10-321.2.2
Fix opening files
Bio2024-10-302.16.7
Marvin2024-10-303.1.29
Power Grid2024-10-291.4.6
Marvin2024-10-293.1.28
Charts2024-10-031.4.1
* #3090: Sunburst: Usability improvements:
* #3097: Sunburst: change Row Source to 'All' once the setting 'On Click' is switched to 'Filtered'
Hit Triage2024-10-281.3.3
* Modification of HD Stages within campaign.
Notebooks2024-10-281.2.0
Fixed corrupted styles for the platform that used to appear after opening a notebook.
Power Pack2024-10-281.2.2
* #3119: Calculated column: formula with multi-argument functions is parsed incorrectly if more than one argument contains a column
Chem2024-10-251.13.0
* #3055: Page is freezing after applying layout with multiple
Sequence Translator2024-10-251.4.8
Power Grid2024-10-251.4.5
* WebGPU colors and different marker types for ScatterPlot
Sequence Translator2024-10-251.4.7
Sequence Translator2024-10-251.4.6
EDA2024-10-251.2.3
Fixed:
* k-NN imputer input form
* console output
Power Grid2024-10-251.4.4
Samples2024-10-241.2.0
* Queries auto tests
* Pyodide samples
Helm2024-10-242.5.7
Power Pack2024-09-271.2.1
Datagrok DB explorer
Usage Analysis2024-10-242.2.0
Dev Tools2024-10-241.4.0
Pyodide2024-10-241.0.0
Initial release version. Requires datagarok-api >= 1.22.0*
ChEMBL API2024-10-241.1.1
Admetica2024-10-181.0.2
* Admetica: Fixed tests
* Admetica: Support CPU usage when no GPU is available
ChEMBL2024-10-231.1.5
Remove dual function initialization
Helm2024-10-222.5.6
Charts2024-10-221.3.6
Bio2024-10-222.16.6
Tutorials2024-10-211.5.5
API Samples2024-10-171.0.12
* Add samples before for scripts
* Sample fixes
Chem2024-10-211.11.7
Docking2024-10-211.1.2
* Docking: Increased timeout for clinfo test
Chem2024-10-181.12.4
Bio2024-10-182.16.5
Monomer manager: Add new empty monomer
Docking2024-10-181.1.1
* Docking: Fixed dockLigandColumn test
Dev Tools2024-10-181.3.48
Tutorials2024-10-181.5.4
Peptides2024-10-171.18.7
Fixes For GROK-16606, GROK-16609
Hit Triage2024-10-171.3.2
* Fix HT Campaigns and templates
@datagrok-misc/eslint-plugin-config2024-10-171.0.0
Enamine ChemSpace2024-10-161.1.2
* Fixed cache invalidating
Bio2024-10-162.16.4
Bio2024-10-152.16.3
Helm2024-10-152.5.5
* Fix Getting monomers in HWE that can contain square brackets
Sequence Translator2024-10-111.4.5
Diff Studio2024-10-111.1.5
Bio2024-10-112.16.2
Power Grid2024-10-111.4.3
* Fix webGPU Sc for non 4-divisible rows
Power Grid2024-10-111.4.2
* Add webGPU ScatterPlot support
Helm2024-10-102.5.4
Bio2024-10-102.16.0
Hit Triage2024-10-101.3.1
* Remove project save button from the ribbon panel
Bio2024-10-082.15.13
Monomer manager: Fix Molv2k Rgroup line generation
Peptides2024-10-081.18.6
MCL: Better layout for similar size clusters
Bio2024-10-072.15.12
Fix weblogo colors
Peptides2024-10-071.18.5
Fix weblogo support
Bio2024-10-042.15.11
Monomer renderer: Choose correct colors for background
Bio2024-10-042.15.10
Monomer manager: Better discoverabilty of errors.
Peptides2024-10-031.18.4
Use monomer tooltip from library
Bio2024-10-032.15.9
ChEMBL2024-10-031.1.4
Improve search integrated queries
Tutorials2024-10-031.5.3
Bio2024-10-022.15.8
Bio2024-10-022.15.7
Adjust monomer colors for very 'white' colors.
Peptides2024-10-021.18.3
Add Monomer meta columns to the Monomer-Position viewer
Tutorials2024-10-021.5.2
Arrow2024-09-231.1.2
* Bump datagrok-api dependency
Power Grid2024-10-011.4.1
Chem2024-10-011.12.3
Diff Studio2024-09-301.1.4
Sequence Translator2024-09-301.4.4
Admetica2024-09-301.0.1
* Admetica: Introduced toxicity models (hERG and LD50 for acute toxicity)
ComputeUtils2024-09-301.39.4
Sequence Translator2024-09-271.4.3
* Add PolyTool convert reverse
Helm2024-09-272.5.3
Bio2024-09-272.15.6
ChEMBL2024-09-271.1.3
PowerSearch features
Chem2024-09-251.12.2
Biostructure Viewer2024-09-261.2.1
Bump dependencies bio lib version
Helm2024-09-252.5.2
Bump dependencies, bio lib
ChEMBL2024-09-251.1.2
Handle missing chembl connection.
Bio2024-09-252.15.5
Chem2024-09-251.12.1
ChEMBL2024-09-251.1.1
Database explorer for ChEMBL database.
Diff Studio2024-09-241.1.3
EDA2024-09-121.2.2
Updated ANOVA:
* Add tests & benchmarks
* Fixed the incorrect feature column type bug
Sequence Translator2024-09-241.4.2
Compute2024-09-231.39.3
- ModelCatalog: Added info notification on group membership request
ComputeUtils2024-09-231.39.3
Bio2024-09-222.15.3
Add monomer background coloring
Peptides2024-09-221.18.2
Color monomer background in invariant map
Chem2024-09-201.11.6
* #3055: Page is freezing after applying layout with multiple
Admetica2024-09-181.0.0
* Admetica: Ability to calculate ADMET properties for the entire column
* Admetica: Ability to calculate ADMET properties for individual cells
* Admetica: Seamless transition from Chemprop v1 to v2
* Admetica: Update models aligned with the latest Chemprop v2 features
Bio2024-09-182.15.2
Add monomer coloring for fasta/separator from monomer library
Peptides2024-09-181.18.1
Add monomer custom coloring
Usage Analysis2024-09-172.1.1
Compute2024-09-131.39.2
- RFV: Export generation is now independent of UI state
ComputeUtils2024-09-131.39.2
Tutorials2024-09-121.5.1
Enamine ChemSpace2024-08-281.1.1
* Caching results
EDA2024-09-121.2.1
* Add tests & benchmarks for missing values imputation using KNN
Sequence Translator2024-09-121.4.1
Diff Studio2024-09-121.1.2
Arrow2024-09-111.1.1
* Fixes converting of null DG constants
Sequence Translator2024-09-101.4.0
* Add PolyTool Enumerator Chem dialog to context menu for Molecule
Clinical Case2024-09-101.1.0
GIS2024-09-101.2.0
Diff Studio2024-09-101.1.1
Ketcher Sketcher2024-09-102.2.0
Peptides2024-09-101.18.0
Sequence Translator2024-09-101.3.15
Compute2024-09-101.39.1
- Fixed DF input in the Fitting view
Helm2024-09-102.5.0
Bio2024-09-102.15.1
ComputeUtils2024-09-101.39.1
Bio2024-09-042.15.0
Monomer manager
Docking2024-09-091.1.0
Biostructure Viewer2024-09-091.2.0
ChEMBL2024-09-091.1.0
DrugBank2024-09-091.1.0
Chem2024-09-091.12.0
Charts2024-09-091.4.0
PhyloTree Viewer2024-09-021.2.12
Fix tests
Dendrogram2024-09-021.2.33
Fix for dependency math lib version update
Tutorials2024-09-091.5.0
Dev Tools2024-09-021.3.47
* Update package according js-api updates
Diff Studio2024-09-091.1.0
EDA2024-09-101.2.0
* 1.21.1 release
Compute2024-09-091.39.0
Hit Triage2024-09-091.3.0
ComputeApi2024-09-090.2.0
Usage Analysis2024-09-092.1.0
Curves2024-09-091.6.0
NLP2024-09-091.1.0
Power Pack2024-09-091.2.0
* #3009: Calculated column hints break with round bracket + curly bracket
* #3008: Qnum function is missing from hints
Arrow2024-09-091.1.0
* Minor version bump
PubChem2024-09-091.2.0
ChEMBL API2024-09-091.1.0
ComputeUtils2024-09-091.39.0
SQLite2024-09-091.1.0
Oligo Batch Calculator2024-09-091.1.0
Alation2024-09-091.2.0
Notebooks2024-09-091.1.0
Power Grid2024-09-091.4.0
Helm2024-09-052.4.6
Helm Web editor cell editing causing grid.onCellValueEdited event
Compute2024-09-051.37.0
- Release for 1.21.0
ComputeApi2024-09-050.1.0
ComputeUtils2024-09-051.37.0
Sequence Translator2024-09-021.3.14
Fix remove CyclizedNotationProvider
Biostructure Viewer2024-09-021.1.2
Charts2024-08-301.3.5
* Charts: Sunburst: Speed up
Helm2024-08-292.4.5
Fix getHelm for cyclic, bump HWE dependencies
EDA2024-08-281.1.35
* Add History support and enable gpu by default if available for dim-red
Sequence Translator2024-08-191.3.13
* Improve PolyTool Enumerate Dialog
* Add check and warning for substituting missed monomers
* Add flag to keep the original molecule in the result
* Add choice to select a molecule id and generate derivative
Helm2024-08-272.4.4
Chem2024-08-271.11.5
* #3004: Chem: Scaffold tree is based on wrong table by default in
Power Pack2024-08-271.1.13
* Fixed the PDB search (only showing existing proteins)
* Add new column: Some validation fixes
Hit Triage2024-08-261.2.2
* Fix progress tracker layout loading
Hit Triage2024-08-231.2.1
* Fix issues related to progress tracker
* Fix layout grid related issues
Docking2024-08-231.0.4
* Docking: Add demo
* Docking: Ensure consistent naming and ordering of parameters
Helm2024-08-232.4.3
Helm: Bump HWE dependencies versions
Helm: Move getMolfiles to HelmHelper (highlight monomer at atomic level)
Dendrogram2024-08-231.2.32
Charts2024-08-231.3.4
* #2994: Charts | Sunburst: Double click on the viewer resets the view
* #2992: Charts: Sunburst does not select/filter on empty category
* #2979: Charts: Sunburst is showing default columns instead of selected ones after applying layaout in some cases
Curves2024-08-231.5.0
* Improved fitting algorithm - didn't fit properly because was stuck in the bounds
Chem2024-08-231.11.4
* #2983: Chem: fix tooltip styles for structure columns
Clinical Case2024-08-221.0.9
Tutorials2024-08-221.4.0
Power Pack2024-08-211.1.12
* #2918: Typing $ in the calculated column dialog pops up the available column drop down also within a quoted field
Power Pack2024-08-201.1.11
* #2993: Calculated columns dialog: Cannot type in any input after adding a calculated column
* #2988: Calculated columns dialog: Fixed qnum type validation
* #2981: Calculated columns dialog: Typing calculated formula: input is overwritten unexpectedly in some cases
Dendrogram2024-08-191.2.31
Fix Hierarchical clustering namings.
Helm2024-08-192.4.2
EDA2024-08-091.1.34
* Updated multivariate analysis
* Reduced bias in the PLS regression and Multivariate Analysis
* Fixed linear regression fails
Sequence Translator2024-08-161.3.12
PolyTool Enumerator Single and Matrix, dialog, tests
Helm2024-08-162.4.1
* HWE option for continuous number, typing
* Add HelmInput mouse events, redraw, showTooltip
* Bump HWE dependencies versions
Bio2024-08-232.14.2
* Add highlighting monomer at atomic level
@datagrok-libraries/webcomponents-vue2024-08-150.0.3
Peptides2024-08-141.17.29
Update MCL implementation
Bio2024-08-142.14.1
Fix monomer substitution matrix calculation
EDA2024-08-141.1.33
Bump ml version to 6.6.21
EDA2024-08-131.1.32
Add XGBoost to predictive modeling tools
Curves2024-08-131.4.6
* Added exponential fit function
Chem2024-08-121.11.3
* Chem: MMPA: Work with multucomponent entities
Chem2024-08-121.11.2
* #2964: Scaffold Tree: 'Selection to filter' reset immediately for
Bio2024-08-082.13.8
* Downgrade API version
Peptides2024-08-081.17.28
* Downgrade API version
Bio2024-08-082.13.7
* Adjust monomer max lengths for monomer renderer
Peptides2024-08-081.17.27
* Selection viewer restoring original grid sorting
* MCL viewer limiting max intercluster lines
* fix bugs with selections context panel
Charts2024-08-081.3.3
* #2954: Sunburst: Unsupported columns are not filtered out in column selector
Peptides2024-08-071.17.26
Rename monomer position viewer to sequence variability map
Power Pack2024-08-071.1.10
* Add new column: incorrect input parameters when autocomplete
Helm2024-08-062.3.4
Peptides2024-08-061.17.25
Update MCLalgorytm and Add params to starting menu
EDA2024-08-061.1.31
Add MCL layout with force directed graph and atlas
ChEMBL API2024-08-051.0.13
* Fixed tests
Helm2024-08-052.3.3
* Load dojo without CDN
Power Pack2024-08-051.1.9
* #2949: Calculated columns dialog: extra scroll bars
Compute2024-08-051.36.7
- RFV: Fixed navigation buttons render
ComputeUtils2024-08-051.36.7
Compute2024-08-011.36.6
- RFV: Added spinning for async validation icon
ComputeUtils2024-08-011.36.6
Enamine ChemSpace2024-07-311.1.0
* Updated to Chemspace API version 4.0
Compute2024-07-311.36.5
- RFV & Wizard: Historical runs load optimization
ComputeUtils2024-07-311.36.5
Sequence Translator2024-07-311.3.11
* Added chemical based enumerator
Hit Triage2024-07-301.2.0
Permission management and sharing of campaigns. Deleting templates. optimization of function loading
Compute2024-07-301.36.4
- Deps update
EDA2024-07-291.1.30
Add PLS regression to predictive modeling tools
Compute2024-07-301.36.3
- Wizard: Fixed context info icon duplication
ComputeUtils2024-07-301.36.3
Peptides2024-07-291.17.24
Fix invariant map values rendering
Hit Triage2024-07-291.1.16
Fix re-running calculations on the first index.
Peptides2024-07-291.17.23
Added options to invariant map:
* split selection for targets
* coloring options via aggregation
* value aggregation
* tooltips
* improved stability
Bio2024-07-292.13.6
* SequenceChemSimilarity: warning in case reference monomer not found in monomer library
Sequence Translator2024-07-291.3.10
* Add 'Create/Modified' date metadata to patterns
Hit Triage2024-07-291.1.15
Fixed duplicate detection on fingerprints. added rerunning calculations
Charts2024-07-241.3.2
EDA2024-07-291.1.29
Add the softmax classifier
Hit Triage2024-07-261.1.14
Added detection of duplicate molecules in campaign and vid coloring of duplicates.
Sequence Translator2024-07-231.3.9
Chem2024-07-251.11.1
* Removed unnecessary code
Chem2024-07-241.11.0
* GROK-16328: Chem: R-Group analysis: Broken styles
* GROK-16329: Chem: R-Group analysis: Error when none R groups were found
* GROK-16338: Chem: Chemical space: Reseting marker type to circles
* Chem: Scaffold Tree: Fix representation when the viewers are stacked
* Chem: Chemprop: Fix applying the model to different datasets
* Chem: Fix substructure filter style
* Chem: Do not render molecules with invisible width
Power Grid2024-07-241.3.1
* Introduced segments in PieChart
Power Pack2024-07-241.1.8
* Updated 'Add new column' dialog: autocomplete and hints, formula validation, sorting by column type
Curves2024-07-241.4.5
Clinical Case2024-07-241.0.8
Enamine ChemSpace2024-07-241.0.5
Oligo Batch Calculator2024-07-231.0.7
Helm2024-07-232.3.2
* Add HelmInput
EDA2024-07-231.1.28
Bump dependencies versions, datagrok-api to 1.20.0
Bio2024-07-232.13.5
Dendrogram2024-07-231.2.30
Bump dependencies versions, datagrok-api to 1.20.0
Tutorials2024-07-191.3.27
Dev Tools2024-06-261.3.46
* TM: init compute package
Usage Analysis2024-07-232.0.2
* Reporting: Bugs fixes and improvements in UX
* Test Track:
* Collaborative testing synchronization
* Ability to set severity level of errors
* Ability to associate test executions with Error reports
* Updates Test Track according new tests registration
Hit Triage2024-07-231.1.13
Fix chem descriptors breaking loop.
Compute2024-07-231.36.2
- RFV: Added validation tooltip width and text-wrap
ComputeUtils2024-07-231.36.2
Peptides2024-07-221.17.22
Fix Active peptide selection viewer failing on frame attached.
Compute2024-07-221.36.1
- RFV: Last inputs are now saved locally
ComputeUtils2024-07-221.36.1
ChEMBL2024-07-221.0.38
* Fixed 'Pattern Similarity With Threshold' query name
Chem2024-07-191.10.1
Samples2024-07-181.0.4
* Fixes demo swagger connections, projects, scripts
Peptides2024-07-121.17.21
Add support for string aggregation with pie chart viewer in LST viewer.
Compute2024-07-101.36.0
- RFV: Added output validators support
ComputeUtils2024-07-101.36.0
Peptides2024-07-091.17.20
MCL: Reverse order of clusters
Compute2024-07-081.35.10
- CompositionPipeline: Exposed options to public interface
ComputeUtils2024-07-081.35.10
ComputeUtils2024-07-081.35.9
Bio2024-07-022.13.4
Peptides2024-07-011.17.19
Fix dialog styles
Compute2024-07-031.35.8
- PLV: Fixed run loading to load author
ComputeUtils2024-07-031.35.8
Charts2024-07-021.3.1
* GROK-15340: Charts | Radar: Support multiple series
Curves2024-07-021.4.4
* #2924: Fixed connectDots doesn't work if fit is turned off
EDA2024-06-171.1.27
Add linear regression
Compute2024-07-011.35.7
- HistoryList: Fixed bug on batch deletion
- HistoryInput: Added skipDf option
ComputeApi2024-07-010.0.8
ComputeUtils2024-07-011.35.7
Helm2024-06-282.3.1
Fix cell renderer error before package initialized
Bio2024-06-282.13.3
Helm2024-06-242.3.0
Use forked JSDraw.Lite and HELMWebEditor
Bio2024-06-262.13.2
* Add package settings for MonomerWidthMode
Compute2024-06-271.35.6
- Exposed mergeValidationResultsInst method
ComputeApi2024-06-270.0.7
ComputeUtils2024-06-271.35.6
Compute2024-06-261.35.5
- getParamChanges fixed empty FuncCall error
ComputeUtils2024-06-261.35.5
Compute2024-06-251.35.4
- Inputs bugfixes
ComputeUtils2024-06-251.35.4
Compute2024-06-251.35.3
- Changed inputs to use new API
ComputeApi2024-06-250.0.6
ComputeUtils2024-06-251.35.3
ComputeApi2024-06-240.0.5
Compute2024-06-241.35.2
- RFV: Added getViewers method
ComputeUtils2024-06-241.35.2
ComputeApi2024-06-190.0.4
Compute2024-06-191.35.1
- Exposed testPipeline method
Sequence Translator2024-06-131.3.5
* PolyTool Enumeration: cell with helm is added to the input
Sequence Translator2024-06-121.3.4
Chem2024-06-121.10.0
* Webgpu acceleration for chem space, activity cliffs, molecule generations
* GROK-15299: Chem: Ability to save results of Chem functions to projects with and without data sync
* GROK-15454: Chem: Similarity/Diversity search viewers: Row source property
* GROK-15508: Chem: MMP: Generated - show what cases are actually generated
* GROK-15501: Chem: MMPA: UI/UX improvements
* GROK-15502: Chem: MMPA: Ability to swith activity on/off
* GROK-15507: Chem: MMP: Control of fragments size
* Chem: Integrate with Chemprop
* Chem: Chemprop upgrade from version "1.6.7" to version "2.0" (reduced memory usage, improved performance)
Biostructure Viewer2024-06-101.1.1
Sequence Translator2024-06-121.3.3
Compute2024-06-121.35.0
- Exposed ComputeAPI
ChEMBL2024-06-121.0.37
* Updated datagrok api dependency
Usage Analysis2024-06-122.0.1
* Reporting app
ComputeApi2024-06-120.0.3
ComputeUtils2024-06-121.35.0
ComputeApi2024-06-120.0.2
Arrow2024-04-091.0.7
* Create int column instead of bigint when possible
ComputeApi2024-06-120.0.1
Power Pack2024-06-121.1.7
* Semantic value extractors
* Better tooltip phrasing
* #2747: Formula lines:
* Fixed vertical line is rendered as horizontal in the dialog
* Added capability to change axes in line chart dialog
* Startup speed improvements
* Home page: Search: support for recognized entities
* #2424: Viewers gallery:
* Added invalid data handling in viewers gallery for Charts
* Made Charts viewers disabled if the data is invalid in viewers gallery
* #2830: Recent projects: Fixed double-clicking issue
* Help: Synchronized icons with the settings
Diff Studio2024-06-111.0.10
Sequence Translator2024-06-101.3.2
* Add package MonomersPath package settings fallback to monomers-sample
* Add README for monomers-sample
* Add sample for bulk translation in Translator app
@datagrok-libraries/webcomponents-vue2024-06-070.0.2
@datagrok-libraries/webcomponents2024-06-070.0.2
@datagrok-libraries/webcomponents-vue2024-06-070.0.1
@datagrok-libraries/webcomponents2024-06-070.0.1
Sequence Translator2024-06-051.3.1
Samples2024-06-051.0.3
This release focuses on improving feature stability and usability.
Tutorials2024-06-041.3.26
* GROK-15447: Tutorials: Add radar as a part of viewers tutorial
Hit Triage2024-06-031.1.11
* Add ability for collaboration on same campaign.
* Fixed bugs with tiles viewer forms crashing in case of removing columns.
Sequence Translator2024-03-301.3.0
* PolyTool: algorithm of conversion facilitated, json files are used as rules
* PolyTool: enumeration feature (demo) added
Ketcher Sketcher2024-05-302.1.9
Bio2024-05-302.12.23
Bio2024-05-282.12.22
DrugBank2024-05-281.0.17
Update of @datagrok-libraries/utils
Ketcher Sketcher2024-05-282.1.8
Peptides2024-05-271.17.18
Add inflation factor to MCL.
Enamine ChemSpace2024-05-231.0.4
Curves2024-05-231.4.3
* #2855: Changed labels (Marker Type -> Marker and Outlier Marker Type -> Outlier Marker)
Compute2024-05-211.34.3
ComputeUtils2024-05-211.34.3
Curves2024-05-211.4.2
* #2855: Added outlier marker option
Curves2024-05-211.4.1
* #2797: Added log-linear fit function
Bio2024-05-202.12.21
Fix cell renderer for column width changed
Compute2024-05-171.34.2
- RFV: Added HistoryPanel hide on view closing
ComputeUtils2024-05-171.34.2
EDA2024-05-161.1.25
Fix inconsistent KNN size in webGPU.
Bio2024-05-162.12.20
Diff Studio2024-05-161.0.9
Bio2024-05-162.12.19
Compute2024-05-151.34.1
- Fixed imports
ComputeUtils2024-05-151.34.1
Helm2024-05-132.2.1
* Use Bio monomerLib within Helm Web Editor
Compute2024-05-141.34.0
- RFV: Removed workaround for tableInput
- RFV: Added tooltips for inputs
- HistoryInput: Changed dates to local timezone
- Added Fitting view
ComputeUtils2024-05-141.34.0
Bio2024-05-132.12.18
Curves2024-05-111.4.0
* #1645: MultiCurveViewer: Removed unnecessary margins
ComputeUtils2024-05-101.33.6
EDA2024-05-091.1.24
* Fix GPU description nullish value.
EDA2024-05-091.1.23
* Disable webGPU input in case if none is available.
* Improvements to GPU device handling
Marvin2024-05-093.1.27
Compute2024-05-091.33.5
- RFV: Property default value getting both for 1.18.x and 1.19
ComputeUtils2024-05-091.33.5
Compute2024-05-091.33.4
- Heavyweight imports optimization
ComputeUtils2024-05-091.33.4
Compute2024-05-081.33.3
- Bundle size optimizations
ComputeUtils2024-05-081.33.3
ComputeUtils2024-05-081.33.2
ChEMBL2024-05-071.0.36
Compute2024-05-071.33.1
- Rearranged CSS files
- RFV: Added isOutdatedOutput subject
- HistoryInput: Hides incomplete runs
- HistoryPanel: Added completeness filter
ComputeUtils2024-05-071.33.1
Compute2024-05-061.33.0
- Added CompositionPipeline
ComputeUtils2024-05-061.33.0
Peptides2024-05-061.17.17
Add both annotations to the active peptide selection viewer.
Curves2024-05-031.3.1
* #1645: MultiCurveViewer:
Compute2024-05-031.32.4
ComputeUtils2024-05-031.32.4
Helm2024-05-012.2.0
Optimize cell renderer on async renderer base
Biostructure Viewer2024-05-011.1.0
Use generalized cell renderer on async renderer base
Bio2024-05-012.12.17
* Add MonomerLib.getSummary
* Use Pistoia typization
Sequence Translator2024-03-301.2.9
* #2707: Add original and canonical to monomer
Compute2024-04-301.32.3
ComputeUtils2024-04-301.32.3
Compute2024-04-291.32.2
Compute2024-04-291.32.1
ComputeUtils2024-04-291.32.1
Peptides2024-04-291.17.16
Add thresholds to active peptide selection viewer.
Bio2024-04-252.12.16
Bio: Fix crushing substructure filter.
EDA2024-04-251.1.22
Add support for webGPU MCL in full (sparse matrix and expansion/normalization operators)
Dendrogram2024-04-231.2.29
Bump dependencies versions, datagrok-api to 1.18.0, gridext to 1.3.71
GROK-15153: Fix test Demo.heatMapDemo
EDA2024-04-231.1.21
Add GPU information to clustering algorithms.
Helm2024-04-222.1.34
Fix Helm grid cell renderer
Chem2024-04-121.9.2
* R Group analysis improvements: ability to select 'Only match at R groups', saving R group user settings, small UI
improvements
Helm2024-04-192.1.33
Fix cell renderer for scatter plot tooltip, add test
Bio2024-04-192.12.15
Bio: Some optimization in Polytool
Curves2024-04-181.3.0
* #2101: Improve curves properties and rendering:
* #2754: Implemented capability just to connect the points (without fitting)
* #1645: MultiCurveViewer:
Bio2024-04-182.12.14
Bio: Fixed stereochemistry in Polytool
Compute2024-04-181.32.0
- Added partial save feature for RFV & Wizard
- Run deletion is now implemented via flag
- Wizard: annotation and in-code help pages are now both supported
- History panel: "Params" switch is now hidden if no params exist
- Wizard: Steps now support customId-s
ComputeUtils2024-04-181.32.0
Bio2024-04-152.12.13
Bio: Fix cell renderer for scatter plot, add test
Peptides2024-04-171.17.15
Cluster max activity viewer working on level of cluster, not cluster size.
Tutorials2024-04-161.3.25
Updated the Multivariate analysis tutorial.
EDA2024-04-161.1.20
Improve dimensionality reduction dialog.
EDA2024-04-151.1.19
* PLS components computation
* Update UI for `Multivariate Analysis` - main feature & demo app
Peptides2024-04-151.17.14
Fix display of the max activity vs cluster size viewer columns.
Helm2024-04-152.1.32
* Add displaying a monomer's origin lib
Biostructure Viewer2024-04-151.0.27
Fix the description for Docking Conformations demo
Docking2024-04-151.0.3
Add description to the Docking demo card.
EDA2024-04-151.1.18
Fixed webGPU numeric distance with 0 range
Bio2024-04-152.12.12
* Polytool: working with molV3000
EDA2024-04-141.1.17
* Add webGPU UMAP implementation.
* Add webGPU Sparse matrix calculation.
* Add webGPU option for MCL.
Bio2024-04-122.12.11
* Add displaying a monomer's origin lib
Chem2024-04-121.9.1
* R Group analysis: in browser R group analysis using RDKit JS, highlight of r groups, ability to define enumerated R
groups in core
* Similarity/Diversity search: ability to recalculate results on filtering
Docking2024-04-121.0.2
* Upgraded BiostructureViewer package to a newer version
Biostructure Viewer2024-03-301.0.26
* #2707: Add original and canonical to monomer
Bio2024-04-112.12.10
Bio2024-04-102.12.9
Bio2024-04-092.12.8
* To atomic level: STEABS block contains less than 80 symbols per row
Compute2024-04-101.31.0
- ModelCatalog: Adaptation for BrowseView
ComputeUtils2024-04-101.31.0
Hit Triage2024-04-091.1.10
Fixed bugs with tiles viewer forms and functions loading.
Compute2024-04-081.30.1
ComputeUtils2024-04-081.30.1
Diff Studio2024-04-081.0.8
Compute2024-04-081.30.0
- HistoryInput refactored: now uses same component as HistoryPanel
- `mainInputs` tag renamed to `mainParams`
- Both HistoryInput and HistoryPanel now use `mainParams` to determine visible columns
ComputeUtils2024-04-081.30.0
Bio2024-04-082.12.7
* Ability to link monomers in molV3000 format
Docking2024-04-081.0.1
* #2741: Docking: Show placeholder for failed docking run
Bio2024-04-072.12.6
EDA2024-04-051.1.16
Add webGPU KNN calculation option to UMAP.
NLP2024-04-051.0.9
Fixed multiple filters creating.
Bio2024-04-032.12.3
Updated version of openchemlib in dependencies
Compute2024-04-031.29.1
- HistoryPanel: Added compact mode
- HistoryPanel: Fixed bug with supported column types
ComputeUtils2024-04-031.29.1
Peptides2024-04-021.17.13
* Add max activity vs cluster size viewer.
Bio2024-04-032.12.2
Harmonized MM distance function with monomer similarity matrices.
Bio2024-04-022.12.1
Dev Tools2024-04-021.3.43
Peptides2024-03-301.17.12
* #2707: Add original and canonical to ISeqSplitted
Helm2024-03-302.1.31
* #2707: Add original and canonical to monomer
* Bump dependencies versions
Bio2024-03-302.12.0
* #2707: Add original and canonical to monomer
Compute2024-03-291.29.0
- RFV: Disabled re-run on inputs load
- ModelCatalog: Full support of single-file models
- HistoryPanel: Redesigned to use Grid
ComputeUtils2024-03-291.29.0
Diff Studio2024-03-281.0.7
Hit Triage2024-03-271.1.9
Bug and style fixes.
Bio2024-03-272.11.42
Bio2024-03-262.11.41
* Polytool: ability to use special engine to create molV3000 with CFG flags in the atoms block
Chem2024-03-211.9.0
* #2495: Chem: MMP - initial vesrion
* #2540: Chem | Substructure search: Add an option to toggle the
* #2525: Chem | Scaffold Tree: Remove the intermediate dialog
* #2504: Filter panel: The question mark hovering doesn’t show the
Bio2024-03-222.11.40
* Polytool rules file handling
Charts2024-03-211.3.0
* #2500: Sunburst: Improvements:
* #2500: Sunburst: Labels were hidden after the structures were added
ChEMBL API2024-03-201.0.12
* Added getCompoundsIds by inchi key function
Docking2024-03-191.0.0
* #2491: Docking: Autodock-GPU integration
* #2568: Docking: Input UI
* #2732: Docking: Handle docking error for a particular ligand
PubChem2024-03-181.1.16
* Added GetIupacName function
Usage Analysis2024-03-162.0.0
* Test Track released
* GROK-14344 UA: Functions execution time
* UA: update routing, overall improvements
* UA: Test results for selected date in Test Track
* UA: Compare test results in Test Track
* GROK-14402 UA: Test Track
Curves2024-03-151.2.16
* #2105: Added outlier color property.
* #2101: Fixed statistics calculation
* #2103: Made statistics columns adding functions DG functions
Compute2024-03-131.28.0
- Adapted lib for Datagrok v1.18
ComputeUtils2024-03-131.28.0
Helm2024-03-132.1.30
* Add tooltip for sequence with missed monomers
Bio2024-03-112.11.39
Compute2024-03-121.27.0
- RFV: Added last values restoring
ComputeUtils2024-03-121.27.0
Peptides2024-03-121.17.11
* Fix context panel issues with mutation cliff pairs.
* Fix filter crashing app and never recovering.
* Precompute mutation cliffs statistics for correct rendering.
* Use mutation cliffs statistics for rendering (instead of invariant map data)
* Use Count and mean difference for size and color of mutation cliffs table.
* Correct tooltip for mutation cliffs table to use mutation cliffs stats.
Compute2024-03-111.26.0
- RFV: Moved favorites to UserStorage
ComputeUtils2024-03-111.26.0
Bio2024-03-082.11.38
Power Pack2023-11-281.1.5
* 1.18.0 Platform version compatibility, Recent projects widget
Diff Studio2024-03-081.0.6
Bio2024-03-082.11.37
Dendrogram2024-03-071.2.27
PhyloTree Viewer2024-03-071.2.11
Dendrogram2024-03-061.2.26
Compute2024-03-061.25.3
- RFV: "readme" tag replaced by "help"
ComputeUtils2024-03-061.25.3
Compute2024-03-051.25.2
- PLV: Added additional check on step enabling
- ModelCatalog: Added help switching
ComputeUtils2024-03-051.25.2
Bio2024-02-282.11.36
Compute2024-03-041.25.1
- SA: input form styles fix
ComputeUtils2024-03-041.25.1
Compute2024-03-041.25.0
- RFV: Now supports readme files via `meta.readme` tag
- Wizard: Now support help panel state saving
ComputeUtils2024-03-041.25.0
Compute2024-03-021.24.1
- ModelCatalog: Fixed bug with mandatory groups
ComputeUtils2024-03-021.24.1
Diff Studio2024-03-011.0.5
GIS2024-03-011.1.5
* Fixed 'Cannot read properties of null (reading 'hasOwnProperty')' error when closing a viewer.
Compute2024-03-011.24.0
- RFV: Customizable data upload feature
ComputeUtils2024-03-011.24.0
Chem2024-02-291.8.13
* Warm up substructure search web workers only once when first filter is created on column
Peptides2024-02-291.17.10
Fix context panel crashing and never recovering
Peptides2024-02-291.17.9
Fix Logo summary table not calculating for single clusters and not updating on filter.
Compute2024-02-281.23.0
- SA: Updated viewers
- SA: Added analysis by value in custom column
ComputeUtils2024-02-281.23.0
Bio2024-02-262.11.35
* #2706: Polytool: init rule based generation
EDA2024-02-271.1.15
Add support for post processing functions in dimensionality reduction. The method `Dimensionality Reduction` (see Top Menu > ML > Dimensionality Reduction) now allows to apply post processing functions to the resulting embeddings.
Peptides2024-02-221.17.8
Allow using qnum activity columns when running SAR analysis from top menu.
Diff Studio2024-02-261.0.4
Chem2024-02-151.8.12
* Fixed multiple substructure search calls with the same structure (in case multiple layouts are applied to cloned views
at once)
Ketcher Sketcher2024-02-212.1.7
* Visible "Apply" button when opening the setting
NLP2024-02-231.0.8
Updated help: stemming-based search tools description is added.
Hit Triage2024-02-221.1.8
Add python script support.
Peptides2024-02-221.17.7
Allow using qnum activity columns.
Helm2024-02-212.1.29
* Fix Unknown monomers breaking grid rendering.
Bio2024-02-202.11.34
Power Grid2024-02-201.3.0
* #2673: Implemented MultiChoice cell renderer.
* #2681: Implemented Tags cell renderer.
Bio2024-02-202.11.33
Peptides2024-02-201.17.6
Fix NW Distance function.
EDA2024-02-201.1.14
Fix NW distance function
NLP2024-02-201.0.7
Stemming-based search (SBS) tools for text columns are added:
* SBS context & distance edit panels
* SBS approach for text embeddings computation
Compute2024-02-201.22.0
- Added heavy-weight libraries dynamic load
ComputeUtils2024-02-201.22.0
Peptides2024-02-151.17.5
Added MCL clustering to peptide analysis.
Diff Studio2024-02-191.0.3
Helm2024-02-192.1.28
* Fix TS config file.
Bio2024-02-152.11.30
* GROK-14598: Bio: Substructure filter sync between cloned views, tests
Helm2024-02-152.1.27
Bio2024-02-152.11.29
Hit Triage2024-02-141.1.7
Compute2024-02-141.21.2
ComputeUtils2024-02-141.21.2
Compute2024-02-141.21.1
Helm2024-02-142.1.26
Compute2024-02-131.21.0
- Wizard: now deletes all steps' funccalls on parent funccall deletion
- CPV: Design & performance improvements
- SA: Added units into the form
ComputeUtils2024-02-131.21.0
EDA2024-02-121.1.13
Fix PCA & PLS applying to table from local file
EDA2024-02-121.1.12
Add MCL clustering. The method is available in Top Menu > ML > Cluster > MCL.
Clinical Case2024-02-121.0.7
Helm2024-02-092.1.25
* Show tooltips on monomers rendered with WebEditor.
Chem2024-02-081.8.11
* #2642: Filtering done using viewers is unexpectedly reset on
* #2639: Structure in filter is unexpectedly changed when there are
* #2646: Structure highlighting is not removed when filters panel
Clinical Case2024-02-071.0.6
Sequence Translator2024-01-291.2.7
* Bulk translation for formats
Clinical Case2024-02-071.0.5
Provides tools for exploration of clinical data represented in SDTM format.
Bio2024-02-072.11.28
Peptides2024-02-051.17.4
Compute2024-02-051.20.1
- HistoryInput now supports DF param skipping
ComputeUtils2024-02-051.20.1
Compute2024-02-011.20.0
- PLV: Added help icon for steps if help is available
- RFV: Added "add to favorites" icon for historical runs cards
- ModelCatalog: Moved help to model's context menu
- RFV: Moved History panel out from context panel
ComputeUtils2024-02-011.20.0
Ketcher Sketcher2024-01-312.1.5
* Updated ketcher libraries up to 2.15.0
EDA2023-12-281.1.11
Add missing values imputation using the KNN method.
Sequence Translator2024-01-291.2.6
Peptides2024-02-011.17.3
* Sequence space random seeding for reproducibility.
* Use of generated clusters for summery web logo table.
Hit Triage2024-01-261.1.6
* Fixes to adding new functions to the campaign.
* Conversion to canonical smiles format before calling compute functions.
Hit Triage2024-01-251.1.5
* Ability to use queries with `HitTriageFunction` tag directly as compute functions.
* Fixes and improvements to performance.
Dev Tools2024-01-241.3.42
* TM: category & package status
* TM: last failure/success
* GROK-14439: Save test console logs
* GROK-14063: Integrate dart tests
Chem2024-01-191.8.10
* #2626: Unexpected warning on adding child node to the scaffold
* #2628: Structure filter is not applied in some cases when there
* #2629: Structure filter filters out all molecules in the presence
Marvin2024-01-193.1.26
Biostructure Viewer2024-01-191.0.23
* View for imported structures allows display controls
* Display input field to open structure on empty Biostructure viewer.
* Add pdbqt parser, convert to PDB, tests
* Pdbqt parser for models (poses) and target, tests
* Pdbqt import handler
* Context menu Download, Copy for Molecule3D grid cell
* Add Molecule3D ligands for Biostructure viewer
* Add PdbHelper converters parsePdbqt, molToPdb, pdbqtToMol with NGL
* Add NgViewer support formats other than PDB
* Add column descriptions to Demo Docking Conformations
* Add layout to Demo Docking Conformations
* Add AutoDockService
* Add Molecule3D detector for pdbqt units
* Split to Docking package
Compute2024-01-181.19.2
ComputeUtils2024-01-181.19.2
Compute2024-01-181.19.1
- SA: Internal refactoring & UI improvements
ComputeUtils2024-01-181.19.1
Hit Triage2024-01-171.1.4
* Add ability to use queries directly as source functions.
* Fixed bugs with hit triage, including incorrect saving and addition of calculated properties.
Bio2024-01-162.11.27
EDA2023-12-281.1.10
Add option to pass random seed to dimensionality reduction methods. This allows to reproduce results of dimensionality reduction.
Peptides2023-12-261.17.2
* Improved dimensionality reduction (sequence space).
EDA2023-12-221.1.9
Improvements to multi column dimensionality reduction.
Bio2024-01-122.11.26
Peptides2024-01-111.17.1
EDA2023-12-181.1.8
Removed separate methods of dimensionality reduction and substituted with a single method `Dimensionality Reduction` (see Top Menu > ML > Dimensionality Reduction) that supports t-SNE and UMAP. The method allows to use multiple columns (like number, string, Molecule, Macromolecule, etc.) as features with different distance functions. The method also allows to cluster resulting embeddings using DBSCAN algorithm and color resulting scatterplot according to clusters.
Chem2024-01-091.8.9
* #2612: Chem | Scaffold tree: Structure part containing H atom is
Bio2024-01-092.11.24
Helm2024-01-092.1.24
* GROK-13798: Fix error bioSubstructureFilter for Helm on size changed
Bio2024-01-082.11.23
Compute2024-01-081.19.0
- RFV: Added `graphics` type support
- RFV: Exposed feature-flags
ComputeUtils2024-01-081.19.0
Sequence Translator2024-01-081.2.5
Biostructure Viewer2024-01-041.0.22
Bio2023-12-272.11.22
Hit Triage2023-12-271.1.3
Fix incompatibility with old api version
Biostructure Viewer2023-12-261.0.21
Hit Triage2023-12-261.1.2
Hit Triage application improvements
Bio2023-12-252.11.21
Compute2023-12-251.18.0
- RFV: Added input form adaptiveness
- RFV: Renamed validator tag to `validatorFunc`
- RFV: Added `nullable` tag for inputs
ComputeUtils2023-12-251.18.0
Helm2023-12-232.1.23
Bio2023-12-222.11.20
Diff Studio2023-12-211.0.2
Tutorials2023-12-211.3.22
* Added card for Diff Studio demo app.
Diff Studio2023-12-201.0.1
Bio2023-12-202.11.19
Bio2023-12-202.11.18
Dendrogram2023-12-151.2.22
Bio2023-12-142.11.15
EDA2023-12-141.1.7
Add DBSCAN clustering to Top Menu > ML > Cluster > DBSCAN.
Bio2023-12-122.11.14
Marvin2023-12-123.1.25
Marvin2023-12-083.1.24
Marvin2023-12-083.1.23
Marvin2023-12-083.1.22
Marvin2023-12-073.1.21
Tutorials2023-12-071.3.21
* Fixed dock size.
Marvin2023-12-073.1.20
Tutorials2023-12-071.3.20
* Added card for SimPKPD demo app.
Chem2023-12-071.8.8
* Chem: Fix demos for scaffold tree, chemical databases and similarity/diversity search.
Power Pack2023-11-281.1.4
* Disabled queries search to increase performance, until DG 1.18.0
Chem2023-12-051.8.7
* #2550: Chem: Scaffold Tree: Counter is not updated when applying
* #2525: Chem: Scaffold Tree: Highlighting improvements:
* #2536: Chem: Substructure Filter: Not terminated on fiter reset
* #2553: Chem | Scaffold tree: Realignment issue when the scaffold
ComputeUtils2023-12-041.17.6
Tutorials2023-12-041.3.19
* Fixed demo app not working.
Marvin2023-12-043.1.9
Tutorials2023-12-041.3.18
* Improved Chem tutorials: Similarity and Diversity Search.
Compute2023-12-011.17.4
ComputeUtils2023-12-011.17.5
Marvin2023-12-013.1.8
Power Grid2023-11-301.2.6
* Forms viewer: Fixed indicator margins.
ComputeUtils2023-11-301.17.4
Power Grid2023-11-291.2.5
* #2509: Fixed pinned columns in multiple views for the same table cause performance issues in some cases
* #2528: Fixed row headers are lost after pinning and un-pinning columns in some cases
Peptides2023-11-291.17.0
* Renamed activity column to _Activity_ (previously: _Scaled activity_).
* Improved input tooltip in the Mutation Cliffs pairs panel.
* Autosize grids in the Mutation Cliffs pairs panel.
* Hid sequence space embedding columns and axes selectors.
* Saving context panels state.
* Selected cells now have an orange thick border.
* Distribution panel now shows distribution for (1) all activity values, (2) selected rows, (3) peptides selection from
viewers if mismatched with the total selection.
* Sequence space viewer now uses the Needleman-Wunsch algorithm to compute distances.
* Linearization of helm format macromolecules before sequence space computation.
* Improved rendering speed of invariant map (no lags).
* Improved rendering speed upon selection/filtering.
ChEMBL2023-11-291.0.35
* Added script for converting list of names to smiles
Power Grid2023-11-271.2.4
* Forms viewer:
* Handled color coding changing, columns removing, input values changing.
* Made inputs read-only.
* Set default limit for columns number.
* Added reaction to Ctrl, Shift, and Ctrl+Shift-click.
* Added help link.
* Updated viewer layout.
* Added Forms viewer icon.
Usage Analysis2023-11-271.0.4
* GROK-13271 Usage Analysis: Logs view (#2363)
* UA: Refactor Usage tab for Packages & fixes
Power Grid2023-11-241.2.3
* Added image to context panel on current row.
Biostructure Viewer2023-11-241.0.18
Compute2023-11-221.17.3
- RFV: New styles for huge viewers
- PLV: Added input resetting from locked state
ComputeUtils2023-11-221.17.3
Bio2023-11-222.11.13
Hit Triage2023-11-201.1.1
Hit Design application improvements
Biostructure Viewer2023-11-201.0.17
Power Grid2023-11-201.2.2
* Added Forms viewer.
Curves2023-11-171.2.15
* #2101: Added capability to substitute zeroes in curve fitting for logarithmic data
Chem2023-11-171.8.6
* #2525: Chem: Scaffold tree: Highlighting improvements:
* #2526: Chem: Molecules realignment improvements:
* #2533: RdKitService stays unresponsive as terminateFlag is not
Compute2023-11-161.17.2
ComputeUtils2023-11-161.17.2
Power Pack2023-11-161.1.3
Biostructure Viewer2023-11-151.0.16
Dev Tools2023-11-141.3.41
* TM: copy URL option
* TM: Run force option
* TM: Routing
Power Pack2023-11-141.1.2
Biostructure Viewer2023-11-141.0.15
Chem2023-11-141.8.5
* #2459: Chem: Scaffold Tree: Improvements:
* #2511: Scaffold tree: highlighting is not updated when structure
* #2512: Filtering options (contains, exact, included in etc.) are
Helm2023-11-142.1.22