William Wu
Associate Director Computation R&D
England, United Kingdom
Summary
🤩
Rockstar🎓
Top SchoolWilliam Wu is an Associate Director of Computation R&D with a decade of experience applying molecular dynamics and quantum mechanics to drug discovery in pharma and biotech. He has led and executed free-energy calculations for ligand binding, protein–protein interactions, conformational and protonation changes, translating advanced simulation methods into industry-ready insights. A hands-on computational scientist, he has contributed bug fixes, refactors and rigorous tests to the widely used MDAnalysis project, underscoring deep practical knowledge of MD tooling. Trained at Oxford (PhD) with supplemental computing and data-science coursework from Rice and Johns Hopkins, he bridges rigorous academic methods and production-focused R&D. Colleagues rely on him for both technical leadership and meticulous, reproducible simulation workflows that de-risk early-stage decisions.
10 years of coding experience
5 years of employment as a software developer
Doctor of Philosophy (Ph.D.), Ion channel and diseases, Doctor of Philosophy (Ph.D.), Ion channel and diseases at University of OxfordFundamentals of Computing, Computer Science, Fundamentals of Computing, Computer Science at Rice UniversityJohns Hopkins UniversityUniversity College London
Chinese, English
Github Skills (9)
analyse10
molecular-dynamics-simulation10
mdanalysis10
molecular-simulation10
nonlinear-dynamics10
python10
numpy10
debug9
computational-chemistry9
Programming languages (12)
Github contributions (5)
MDAnalysis/mdanalysis
Feb 2017 - May 2021
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Role in this project:
Back-end Developer & QA Engineer
Back-end Developer & QA EngineerContributions:14 reviews, 25 commits, 28 PRs in 4 years 3 months
Contributions summary:William primarily focused on bug fixes and improvements related to the MDAnalysis library's core functionality. They addressed issues in density plots, frame slicing, and hydrogen bond analysis, demonstrating a deep understanding of the library's internal workings. Their contributions also included updating code for Python 3 compatibility and refactoring code related to residue handling. Furthermore, the user implemented comprehensive tests to validate the correctness of their code changes.
molecular-dynamics-simulationmolecular-dynamics-simulationspython-librarypythonscience
xiki-tempula/qforce
Oct 2021 - Dec 2023
Contributions:6 PRs, 77 pushes, 9 branches in 2 years 1 month
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