IBM Research

Open Accelerated Discovery

Open Source
Molecular & Materials
Research Toolkit

OpenAD is an intuitive toolkit that simplifies access to a variety of AI models and services for scientific discovery. Together with its convenient visualisation capabilities, OpenAD empowers scientists across industries to enhance their discovery process.

Colab Demo Documentation Tutorials

About

OpenAD is designed to integrate into your existing workflows via Jupyter Notebook, CLI or API, using a low-code approach to accelerate your research.

Command line interface

Jupyter Notebook

Graphical user interface

Features

CLI + GUI

A powerful hybrid combining the command line with a graphical user interface.

Jupyter Notebook

Fully integrated with Jupyter Lab through magic commands.

Workspace

Store, organize & visualize your molecules in SFD, CSV, MOL, PDB or CIF format.

Model Service

Run machine learning models without the technical overhead.

Workflow Integration

Easily integrate into your existing research workflows and data pipelines.

Visualization

Interactive 2D and 3D visualizations of molecular structures.

Extendable

Extend functionality by building your own plugins and model wrappers.

Cutting Edge

Used & trusted by Fortune 500 IBM partners across the globe.

Open Source

Built fully open source and available under the MIT license.

Accessible to Students

OpenAD is fully open source, providing a stepping stone for students to get familiar with the world of computational chemistry.

We're working hard to make resources more accesible for scientists who do not have a background in computer science.

Start learning

For Organizations

Learn more about how IBM can provide bespoke solutions for your company.

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