Gareth Jones
CSO at Glysade
Colorado, United States
Summary
👤
Senior🎓
Top SchoolGareth Jones is a computational chemistry and cheminformatics leader with over 25 years of experience translating scientific problems into robust software and data systems. As CSO of Glysade and owner of Cairn Scientific he blends hands-on algorithm development with product-focused informatics engineering, having authored notable tools like the GOLD docking program and GASP pharmacophore elucidation. He has deep expertise in relational databases, visualization, and statistical methods for drug discovery, and led research informatics teams at Arena Pharmaceuticals for nearly two decades. An active contributor to open-source cheminformatics, he implemented Morgan feature fingerprints in RDKit’s Java API and has a track record of pragmatic automation and bug-fix work. Based in Colorado, he pairs a PhD in Cheminformatics with an MSc in Knowledge Based Systems and a physics background, enabling him to bridge academic rigor and production software. A practical innovator, he often delivers niche, high-impact tools that become foundational in computational drug discovery workflows.
8 years of coding experience
24 years of employment as a software developer
BSc, Physics, BSc, Physics at The University of EdinburghHeriot-Watt University Edinburgh CampusPhD, Cheminformatics, PhD, Cheminformatics at The University of SheffieldElgin Academy, Elgin, Scotland
Github Skills (8)
c-language10
cpp10
cprogramming-language10
cplus10
cheminformatics10
java9
javas9
python8
Programming languages (6)
Github contributions (5)
rdkit/rdkit
Mar 2018 - Jan 2023
The official sources for the RDKit library
Role in this project:
Back-end Developer & Automation Engineer
Back-end Developer & Automation EngineerContributions:86 reviews, 38 commits, 51 PRs in 4 years 11 months
Contributions summary:Gareth contributed to the development of the RDKit library by implementing Morgan feature fingerprints in the Java API. These changes involved adding new functionality and modifying existing code, specifically by adding new header files, SWIG interface files, and updating test cases. In addition, the user addressed bug fixes and improvements to the library's functionality, demonstrating proficiency in back-end development and software maintenance. The commits also highlight work related to automating processes.
cheminformaticsrdkitpythonc-plus-plussources
jones-gareth/mmpdb
Jan 2018 - Aug 2022
Contributions:14 pushes, 2 branches in 4 years 8 months
predictmolecularmatchedpairsidentify
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