N Harms
Owner, Writer & Consultant at Harms informatics
Boston, Massachusetts, United States
Summary
👤
Senior🎓
Top SchoolN Harms is a Ph.D. chemical engineer turned computational chemistry and ML practitioner with nine years of experience building research software and data-driven drug discovery pipelines. He founded Harms Informatics to consult at the intersection of chemistry, software engineering, and AI after senior data science roles at Valo and multiple startups where he engineered reproducible Dockerized ML tooling and large-scale AWS pipelines. His work spans production-grade Python packages, GPU-accelerated modeling, and orchestration of DEL-ML workflows that processed millions of predictions and enabled hundreds of compound orders. An academic developer by training, he led AutoTST and database-backed web tools at Northeastern, shipping HPC schedulers and chemistry databases used to calculate and validate thousands of reaction rates. He combines rigorous experimental and computational chemistry knowledge with practical software engineering—often turning complex scientific workflows into maintainable, versioned pipelines.
9 years of coding experience
9 years of employment as a software developer
Chemical Engineering, Biochemical Processes, Chemical Engineering, Biochemical Processes at Oregon State UniversityDoctor of Philosophy (Ph.D.), Chemical Engineering, Doctor of Philosophy (Ph.D.), Chemical Engineering at Northeastern University
Spanish, Dutch
Github Skills (57)
quantum-chemistry10
chemical-engineering10
python10
kinetics10
reaction10
theory10
materials-informatics10
chemistry10
thermodynamics10
transition10
systems-biology10
mechanism10
scroll9
database9
get-started8
Programming languages (5)
Github contributions (5)
nateharms/RMG-Py
Aug 2016 - Jul 2019
Python version of the amazing Reaction Mechanism Generator (RMG).
Contributions:38 pushes, 2 branches in 2 years 11 months
mechanismpythonreactionrmgpython-version
ReactionMechanismGenerator/AutoTST
Feb 2018 - Nov 2020
AutoTST: A framework to perform automated transition state theory calculations
Contributions:1 review, 585 commits, 81 PRs in 2 years 9 months
calculationstransition-state-theorytransitionstate-transitiontheory
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.