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AstraZeneca
- Cambridge, MA
- mliu49.github.io
Stars
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
yanfeiguan / chemprop-atom-bond
Forked from chemprop/chempropMessage 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 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).