Metadata-Version: 2.1
Name: openad
Version: 0.8.0
Summary: Open Accelerated Discovery
Home-page: https://openad.accelerate.science
License: MIT
Keywords: deepsearch,rxn,jupyter,magic commands,accelerated Discovery,science,retrosynthesis
Author: Phil Downey
Author-email: phil.downey1@ibm.com
Requires-Python: >=3.10,<3.12
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Typing :: Typed
Requires-Dist: asyncio (>=3.4.3,<4.0.0)
Requires-Dist: biopython (>=1.84,<2.0)
Requires-Dist: blessed (>=1.20.0,<2.0.0)
Requires-Dist: coverage (>=7.3.2,<8.0.0)
Requires-Dist: faiss-cpu (>=1.7.4,<2.0.0)
Requires-Dist: filelock (>=3.14.0,<4.0.0)
Requires-Dist: flask (==3.0.0)
Requires-Dist: flask-bootstrap (==3.3.7.1)
Requires-Dist: flask-cors (>=4.0.0,<5.0.0)
Requires-Dist: geckodriver-autoinstaller (==0.1.0)
Requires-Dist: gemmi (>=0.6.6,<0.7.0)
Requires-Dist: halo (==0.0.31)
Requires-Dist: ijson (>=3.2.3,<4.0.0)
Requires-Dist: ipykernel (==6.27.1)
Requires-Dist: ipython (==8.15.0)
Requires-Dist: ipywidgets (==7.8.2)
Requires-Dist: jupyter_client (==7.4.9)
Requires-Dist: jupyter_core (==5.3.1)
Requires-Dist: jupyter_server (==2.7.3)
Requires-Dist: jupyterlab (==3.6.6)
Requires-Dist: jupyterlab-widgets (==1.1.8)
Requires-Dist: jupyterlab_server (==2.27.2)
Requires-Dist: langchain (==0.3.15)
Requires-Dist: langchain-community (==0.3.1)
Requires-Dist: langchain-text-splitters (==0.3.5)
Requires-Dist: langsmith (==0.1.131)
Requires-Dist: nbclient (==0.8.0)
Requires-Dist: nbconvert (==7.8.0)
Requires-Dist: nbformat (==5.9.2)
Requires-Dist: nodejs (>=0.1.1)
Requires-Dist: notebook (==6.5.6)
Requires-Dist: npm (>=0.1.1,<0.2.0)
Requires-Dist: numpy (>=1.26.2,<2.0.0)
Requires-Dist: orjson (==3.10.3)
Requires-Dist: pandas (>=2.0.0,<3.0.0)
Requires-Dist: pubchempy (==1.0.4)
Requires-Dist: py3dmol (>=2.0.4,<3.0.0)
Requires-Dist: pyjwt (==2.8.0)
Requires-Dist: pyparsing (==3.0.9)
Requires-Dist: pyperclip (>=1.8.2)
Requires-Dist: rdkit (>=2024,<2025)
Requires-Dist: servicing (==0.0.12)
Requires-Dist: setuptools (==75.8.0)
Requires-Dist: skypilot[aws,kubernetes] (>=0.6.0,<0.7.0)
Requires-Dist: tabulate (>=0.8.9)
Requires-Dist: tiktoken (>=0.5.2)
Requires-Dist: tomlkit (>=0.12.4,<0.13.0)
Requires-Dist: tqdm (==4.66.1)
Requires-Dist: websockets (>=12.0,<13.0)
Requires-Dist: widgetsnbextension (==3.6.7)
Project-URL: Documentation, https://openad.accelerate.science/docs
Project-URL: Repository, https://github.com/acceleratedscience/openad-toolkit
Description-Content-Type: text/markdown

<!-- autogenerated:notice -->
<!--

Attention
---------
One or more descriptions in this file have been auto-generated
by the generate_docs() script in @openad-website/generator.

For more info:
https://github.com/acceleratedscience/openad-website/tree/generator

-->
<!-- /autogenerated:notice -->

<img src="assets/molecule-header.jpg" width="830" alt="OpenAD" />

# OpenAD

**Open Source Molecular & Materials Research Toolkit**

[![PyPI - Python Version](https://img.shields.io/pypi/pyversions/openad)](https://pypi.org/project/openad/)
[![PyPI version](https://img.shields.io/pypi/v/openad)](https://pypi.org/project/openad/)
[![License MIT](https://img.shields.io/github/license/acceleratedscience/openad-toolkit)](https://opensource.org/licenses/MIT)
[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)

<!-- autogenerated:description -->
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.
<!-- /autogenerated:description -->

[![image](assets/home.svg)](https://openad.accelerate.science)
[![image](assets/docs.svg)](https://openad.accelerate.science/docs/getting-started)
[![image](assets/tutorials.svg)](https://openad.accelerate.science/blog/category/tutorials)
<!-- [![image](assets/install.svg)](https://openad.accelerate.science/docs/installation) -->
<br><br>


## Quick Install

> [!TIP]
> To install OpenAD inside a virtual environment, please consult the [Installation](https://openad.accelerate.science/docs/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

<br><br>

## Release Notes

`0.8.0`
- We have retired the RXN and Deep Search toolkits and replaced them with new and more user-friendly [plugins](README/plugins.md).

