The Open Reaction Database (ORD) is an open-source database for chemical synthesis reactions, collecting a variety of conditions and records required for different chemical syntheses, which can be used for machine learning or deep learning. ORD provides a user-friendly online interactive interface (https://open-reaction-database.org/client/browse). However, for beginners, what they need is a simple download button to get the data in .csv format, which is not obviously available on this page.
In addition to the issue of download convenience, another problem is as follows: using ORD requires the installation of ord-schema initially. However, if you do not have administrative permissions to install PostgreSQL and libpq-dev (see https://stackoverflow.com/questions/11618898/pg-config-executable-not-found), ord-schema will essentially plunge into an "environment hell", making it impossible to install and use. Therefore, this project also saves you from the trouble of setting up the environment.
The Granda_Perera_ml_example.ipynb in ORD's Github page provides the corresponding operation for the above requirement. This project extracts the corresponding code from this Granda_Perera_ml_example.ipynb, allowing users to easily download the required ORD data through the powerful UI interactive interface of Streamlit🎈.
MIT