Plugins
General
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| Platform | Power Pack | Recommended | Commonly used platform enhancements | Stable |
| Resources | Tutorials | Recommended | App for learning Datagrok with interactive tutorials, Demo app | Stable |
Access
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| Data format | SQLite | Optional | Support for SQLite | Stable |
| Data format | Arrow | Optional | Support for parquet and feather | Stable |
| Data format | File Editors | Optional | Support for PDF, DOCX | Stable |
| Misc | Alation | Optional | Integration with Alation (commercial 3rd party license) | Stable |
| Jira | Jira Connect | Optional | Integration with Jira | Stable |
Govern
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| Usage analysis | Usage Analysis | Optional | App that monitors platform and plugins usage, event log (wiki) | Beta |
Visualize
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| Spreadsheet | Power Grid | Recommended | Grid viewer enhancements | Stable |
| Viewers, misc | Charts | Optional | Visualizations based on external libraries (ECharts, D3.js, Circos, and three.js) | Stable |
| Trees | Dendrogram | Fit-for-purpose | Dendrogram viewer | Stable |
| Trees | PhyloTree Viewer | Fit-for-purpose | PhylocanvasGL viewer | Stable |
| GIS | GIS | Fit-for-purpose | GIS (geographic information system) functionality, like maps and geocoding | Stable |
| NMR data | NMRium | Fit-for-purpose | Visualization of NMR diagram | Stable |
| Spectral data | Spectra Viewer | Fit-for-purpose | Preview of JDX format for various types of spectra, including IR, UV, Mass, HPLC, absorption and others | Stable |
Compute
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| General | Compute | Required | Provides analytical and UI blocks for scientific computing | Stable |
| ODE Solver | Diff Studio | Fit-for-purpose | An app for solving ordinary differential equations (ODE) | Stable |
Scripting
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| Scripting | Pyodide | Optional | Enables running Python scripts in the browser | Stable |
Learn
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| ML Toolkit | EDA | Required | ML toolkit: dimensionality reduction, multivariate analysis, supervised ML, ANOVA, etc. | Stable |
| Jupyter Notebooks | Notebooks | Optional | Integration with JupyterLab Notebooks | Stable |
| MLflow models | MLflow | Fit-for-purpose | Integrates MLflow models into the Datagrok platform | Beta |
Develop
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| DevTools | Dev Tools | Recommended | Developer tools (TestManager, DevPanel, etc.) | Stable |
| Resources | API Samples | Recommended | Examples of Grok API | Stable |
Solutions
Chem
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| General | Chem | Required | Cheminformatics support (wiki). Comes with OpenChemLib sketcher | Stable |
| Sketchers | Marvin | Optional | Integration with Marvin JS (commercial 3rd party license) | Stable |
| Sketchers | Ketcher Sketcher | Optional | Integration with Ketcher (Apache license, version 2.0) | Stable |
| Sketchers | Chem Draw Sketcher | Optional | Integration with ChemDraw (commercial 3rd party license) | Stable |
| Database search | ChEMBL | Recommended | ChEMBL database for on-premise deployment | Stable |
| Database search | DrugBank | Optional | Information on 11,300 drugs from DrugBank | Stable |
| Database search | ChEMBL API | Optional | Webservice integration: ChEMBL | Stable |
| Database search | PubChem | Optional | Webservice integration: PubChem | Stable |
| Database search | Chemspace | Optional | Webservice integration: Chemspace | Stable |
| Database search | SureChEMBL | Optional | Performs searches through a locally deployed SureChEMBL database | Beta |
| Virtual screening | Docking | Optional | Let's you batch screen libraries against AutoDock-prepared targets with interactive visualization | Stable |
| Virtual screening Hit to lead | Hit Triage | Fit-for-purpose | Apps for virtual screening (Hit Triage) and hit design (Hit Design) | Stable |
| Synthetic planning | Retrosynthesis | Optional | Creates retrosynthesis paths for the selected molecule | Beta |
| Registration system integration | CDD Vault Link | Optional | Provides integration with CDD Vault registration system | Beta |
Bio
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| General | Bio | Required | Bioinformatics support (wiki) | Stable |
| Data format | HELM | Recommended | Support for HELM notation, HELM editor | Stable |
| Visualization | Biostructure Viewer | Recommended | Visualization of biological structures (wiki) | Stable |
| SAR | Peptides | Fit-for-purpose | App for sequence-activity relationship analysis for peptides (wiki) | Stable |
| Curve fitting | Curves | Fit-for-purpose | Support for fitted curves (like dose-response curves), including in-grid rendering, storing charts in cells, interactivity, and automatic fitting | Stable |
| Oligonucleotides | Sequence Translator | Fit-for-purpose | App that converts oligonucleotides into various formats | Stable |
| Oligonucleotides | Oligo Batch Calculator | Fit-for-purpose | App that calculates oligonucleotide properties | Beta |
| ADMET | Admetica | Optional | App that lets you evaluate ADMET properties | Stable |
| Docking | Docking | Optional | Integration with Autodock GPU that let's you run docking and analyze the results in Datagrok | Stable |
| Protein structure prediction, docking | BioNeMo | Fit-for-purpose | Integrates advanced models for protein structure prediction and molecular docking | Beta |
NLP
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| NLP | NLP | Optional | Integration with AWS Translate, a neural machine translation service. Extends Datagrok with info panels for text files | Stable |
Digital health, clinical
| Area | Plugin | Tag | Description | Release |
|---|---|---|---|---|
| Clinical data | Clinical Case | Fit-for-purpose | App for analyzing clinical data in SDTM format | Demo |