Datagrok helps you understand your data and take action.

It's fast and powerful: you can load the entire ChEMBL database (2.7 million molecules) in your browser, run substructure searches, apply filters, visualize, and interactively explore the chemical space.

Datagrok goes beyond standard data analytics. You can access data from any source, catalog it, analyze and visualize it, run scientific computations, train and apply models, and do more. Need a specific tool or functionality? Easily integrate or add your own code in a number of modern languages. Datagrok's plugin architecture makes it easy to deliver cohesive, fit-for-purpose solutions.

Overview

• ACCESS: Get your data from anywhere - databases, web services, file shares, pipelines. If it's machine readable, we can work with it!
• GOVERN: Use catalogs, data lineage tools, audits, and usage analyses to take control. Your data is FAIR and secure.
• TRANSFORM: Automatically generate macros from data transformations and use them on new datasets.
• EXPLORE: Slice, dice, and visualize your data. Render millions of data points interactively and find patterns. Build dynamic dashboards in seconds. Leverage metadata for automated data enrichment and contextual suggestions. ML & statistics integrated.
• COMPUTE: Native integration with Python, R, Julia, Matlab. Write a function in any language and get it up and running in seconds!
• LEARN: No-code modeling. State-of-the-art cheminformatics engines and ML toolkit included (PCA, PLS, UMAP, etc).
• COLLABORATE: Share anything with anyone. Collaborate on decision-making. Leverage 50+ plugins from our App Store: cheminformatics, bioinformatics, statistics, advanced visualizations, NLP, integrations with public services - we have it all!
• EXTEND: Customize anything. Build your own functions, features, and applications. Fast development and deployment time with seamless integration. Package, publish, and control privileges using the App Store.