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.
OpenAD is designed to integrate into your existing workflows via Jupyter Notebook, CLI or API, using a low-code approach to accelerate your research.
Tip
To install OpenAD inside a virtual environment, please consult the Installation guide.
pip install openad
openad
Get started with Jupyter Notebook examples:
init_magic
init_examples
jupyter lab ~/openad_notebooks/Table_of_Contents.ipynb
If you get an error when running init_magic, you may first need to setup the default iPython profile for magic commands.
ipython profile create
0.7.5
- We have retired the RXN and Deep Search toolkits and replaced them with new and more user-friendly plugins.