Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search

Hierarchical template correction for chemical reactions

Data and model repository for the ASKCOS application

Python package for the ASKCOS platform for prediction of chemical reactivity

Deployment scripts and utilities for the ASKCOS web application

Web application for the ASKCOS platform for prediction of chemical reactivity

Message Passing Neural Networks for Atomic/Bond Property Prediction

Documentation and sample code for using the CAS SciFinder-n API

Message Passing Neural Networks for Molecule Property Prediction

Software package for computer aided synthesis planning

A tool for retrosynthetic planning

ARC - Automatic Rate Calculator

A Django-powered website for Reaction Mechanism Generator (RMG)

The database of chemical parameters used with Reaction Mechanism Generator

Python version of the amazing Reaction Mechanism Generator (RMG).