Jason Swails
Principal Software Engineer at ambermd
Pennsylvania, United States
Summary
🤩
Rockstar🎓
Top SchoolJason Swails is a Principal Software Engineer with 16 years of experience combining computational chemistry and production-grade software engineering to accelerate drug discovery. He has deep expertise in molecular simulation tooling—contributing to Amber/AmberTools and the widely used OpenMM project—alongside strong systems and backend skills in Python, Fortran, C, MPI and cloud-native platforms. At Iambic Therapeutics he led design and delivery of a Kubernetes-based integrated discovery platform, building auditable ML training/deployment pipelines, compound management, and data reliability features that supported rapid progression from target selection to IND. His work spans low-level force field and trajectory parsing fixes in open-source projects to architecting secure CI/CD, software signing, and HSM-backed token systems in production. Comfortable across Unix, macOS and Windows, he blends academic rigor (PhD in chemistry) with practical engineering, often surfacing subtle edge-case fixes that improve robustness in GPU-accelerated simulation stacks.
16 years of coding experience
10 years of employment as a software developer
Microelectronic engineering, Microelectronic engineering at Rochester Institute of TechnologyBA Chemistry, BA Chemistry at Binghamton UniversityPhD Chemistry, PhD Chemistry at University of Florida
English
Stackoverflow
51reputation
5kreached
4answers
0questions
Github Skills (37)
c-language10
lib10
python10
molecular-simulation10
api-design10
grok10
r10
mqtt10
acs10
file-parsing10
mqttnet10
molecular-dynamics-simulation10
exception-handling10
nonlinear-dynamics10
http-request10
Programming languages (19)
Github contributions (5)
ParmEd/ParmEd
Feb 2014 - Jan 2023
Parameter/topology editor and molecular simulator
Role in this project:
Backend Developer & Library Maintainer
Backend Developer & Library MaintainerContributions:31 releases, 50 reviews, 2588 commits in 9 years
Contributions summary:Jason primarily contributed to the maintenance and improvement of the ParmEd library by addressing issues, adding new features, and enhancing test coverage for the topology objects. They fixed bugs related to improper torsion handling and the serialization of structures, along with making various code cleanups and refactoring efforts. Furthermore, the user also supported the addition of new features like the automatic assignment of bonds in PDB files.
physicslammpssimulationmolecularparameter
eclipse-paho/paho.mqtt.python
Apr 2016 - Apr 2018
paho.mqtt.python
Role in this project:Back-end Developer
Back-end DeveloperContributions:7 commits, 8 PRs, 71 comments in 2 years
Contributions summary:Jason focused on improving the stability and robustness of the `paho.mqtt.python` library, particularly in handling edge cases and potential errors. They addressed issues related to exception handling during broker disconnects, implemented backward compatibility, and refactored code to enhance logging. Furthermore, the user added protection to user-defined callbacks to prevent exceptions within them from crashing the main thread.
pythonpahoeclipseiotpaho-mqttmqtt
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.