mliu49

Software developer working on drug discovery tools at AstraZeneca. Previously lead developer of ASKCOS and RMG.

AstraZenecaCambridge, MA

Pinned Repositories

chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.9k 35 603616
misc_scripts
Collection of scripts and IPython notebooks created for various projects.
Language:Jupyter Notebook0 1 02
mliu49.github.io
Personal Site
Language:CSS0 1 00
RMG-build
Testing and building framework for RMG-Py
0 1 00
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python0 1 00
RMG-Java
The Java version of RMG: Reaction Mechanism Generator
Language:Java0 1 00
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python0 1 00
RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
Language:JavaScript1 2 00
Work-In-Progress_scripts
Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc
Language:Python0 1 00

mliu49/RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
Language:JavaScript1 2 00
mliu49/misc_scripts
Collection of scripts and IPython notebooks created for various projects.
Language:Jupyter Notebook0 1 02
mliu49/mliu49.github.io
Personal Site
Language:CSS0 1 00
mliu49/RMG-build
Testing and building framework for RMG-Py
0 1 00
mliu49/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python0 1 00
mliu49/RMG-Java
The Java version of RMG: Reaction Mechanism Generator
Language:Java0 1 00
mliu49/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python0 1 00
mliu49/Work-In-Progress_scripts
Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc
Language:Python0 1 00