Mengjie Liu
Software Engineer at AstraZeneca
Cambridge, Massachusetts, United States
Summary
🤩
Rockstar🎓
Top SchoolMengjie Liu is a software engineer with 11 years of experience building scientific software to accelerate research, currently developing drug discovery tools at AstraZeneca in Cambridge, MA. She has been a lead developer on notable open-source projects like ASKCOS and RMG, contributing deep back-end expertise to kinetics and thermo engines that power automated reaction and mechanism generation. Her work spans cheminformatics and machine learning, with practical improvements such as isotope handling, aromatic structure generation, and multi-reaction processing that reduce duplication and improve accuracy in simulation pipelines. Trained at MIT, she combines rigorous scientific thinking with production-grade engineering, making her particularly effective at translating complex chemical algorithms into maintainable software. Colleagues value her blend of domain knowledge and pragmatic implementation focus that moves research code toward scalable, reusable tools.
11 years of coding experience
Massachusetts Institute of Technology
Github Skills (5)
kinetics10
thermodynamics10
python10
computer-engineering9
computational-chemistry9
Programming languages (8)
Github contributions (5)
ReactionMechanismGenerator/RMG-Py
Jul 2015 - Jul 2020
Python version of the amazing Reaction Mechanism Generator (RMG).
Role in this project:
Back-end Developer
Back-end DeveloperContributions:13 releases, 2 reviews, 1055 commits in 5 years
Contributions summary:Mengjie primarily worked on back-end improvements to the Reaction Mechanism Generator (RMG) code, contributing to the core functionality of the program. The commits focused on refining reaction handling, particularly in the kinetics and thermo modules, improving how the program accounts for duplicates and processes reactions within these modules. Specifically, the user implemented enhancements related to handling isotopes, generating aromatic structures, and processing multiple chemical reactions within the kinetics engine.
mechanismchemical-engineeringchemistrypythonreaction
mliu49/misc_scripts
Sep 2016 - Oct 2019
Contributions:61 pushes, 1 branch in 3 years 1 month
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