Rafal Wiewiora
PhD Candidate
New York, New York, United States
Summary
🤩
RockstarRafal Wiewiora is a PhD candidate in chemical biology and computational chemistry at the Chodera Lab, Memorial Sloan Kettering, with 11 years of experience applying software engineering to molecular simulation. He contributes core back-end improvements to high-profile open-source projects like OpenMM and ParmEd, where he’s fixed parameter-generation bugs, refined atom and bond handling, and added support for complex file formats. His work on Folding@home COVID-19 simulations demonstrates both practical MD expertise and an eye for tuning simulation parameters for accuracy and performance. Based in New York City, Rafal blends rigorous academic research with production-grade code contributions that improve GPU-accelerated simulation toolchains. An uncommonly useful detail: he routinely merges deep domain knowledge of force fields and molecular topology with pragmatic refactors that make simulation outputs more robust and interoperable.
11 years of coding experience
Github Skills (10)
simulations10
xml10
bioinformatics10
simulation10
computational-chemistry10
molecular-dynamics-simulation10
molecular-simulation10
python10
nonlinear-dynamics10
scientific-computing10
Programming languages (5)
Github contributions (5)
FoldingAtHome/coronavirus
Jan 2020 - May 2020
Folding@home COVID-19 efforts
Role in this project:
Data Scientist
Data ScientistContributions:19 commits, 7 PRs, 15 pushes in 4 months
Contributions summary:Rafal contributed to the development of simulation scripts related to the Folding@home project, specifically focusing on molecular dynamics simulations. Their work involved modifying and refining existing scripts, including updates to parameters such as the timestep and collision rate, indicating an effort to optimize simulation accuracy and performance. The user also addressed PME tolerance and other aspects of the simulation setup. The commits demonstrate skills in computational chemistry and molecular simulation techniques, utilizing libraries like OpenMM.
reactjsjavascriptreactfolding
ParmEd/ParmEd
Jan 2016 - May 2017
Parameter/topology editor and molecular simulator
Role in this project:Back-end Developer
Back-end DeveloperContributions:54 commits, 21 PRs, 198 comments in 1 year 3 months
Contributions summary:Rafal primarily contributed to the `parmed/parmed` repository by fixing bugs and refactoring code related to the OpenMM parameter set generation. Their work involved modifying the XML output format, addressing issues in the handling of atom types, residues, and bonds, and improving the overall structure of the generated parameter files. They also added functionality, allowing the reading of .lib files and addressed various typeification issues.
physicslammpssimulationmolecularparameter
Find and Hire Top DevelopersWe’ve analyzed the programming source code of over 60 million software developers on GitHub and scored them by 50,000 skills. Sign-up on Prog,AI to search for software developers.