David Cosgrove
Freelance Computational Chemistry Software Developer
Macclesfield, England, United Kingdom
Summary
🤩
Rockstar🎓
Top SchoolDavid Cosgrove is a freelance computational chemistry software developer with three decades of experience building bespoke tools for pharmaceutical research, specialising in Python, C++, Qt and OpenEye toolkits on Linux. He has a strong track record at AstraZeneca creating mission-critical systems—such as a Markush search engine and long-lived 2D/3D similarity and pharmacophore platforms—that replaced expensive commercial offerings and delivered substantial cost and time savings. An active contributor to RDKit, he has improved 2D depiction, stereochemistry handling and text rendering in a widely used open-source cheminformatics library. Comfortable across high-performance and parallel computing (OpenMPI/PVM), he also bridges languages by creating Python extensions from C++ and has practical web-app experience with React/AngularJS and Django. Fluent enough in French to work with technical documents, he combines deep domain knowledge in chemoinformatics with hands-on implementation and optimisation skills that keep legacy systems evolving.
11 years of coding experience
28 years of employment as a software developer
MA, Chemistry, 1st Class, MA, Chemistry, 1st Class at University of OxfordM. Phil, Chemoinformatics, M. Phil, Chemoinformatics at The University of SheffieldPhD, Computer-Aided Drug Design, PhD, Computer-Aided Drug Design at University of Leeds
French
Github Skills (11)
c-language10
cprogramming-language10
optimization9
optimisation9
numerical-optimization9
algorithm9
code-optimization9
algorithms9
cmake6
build-system6
image-processing5
Programming languages (4)
Github contributions (5)
rdkit/rdkit
Dec 2014 - Jan 2023
The official sources for the RDKit library
Role in this project:
Back-end Developer
Back-end DeveloperContributions:195 reviews, 72 commits, 146 PRs in 8 years 2 months
Contributions summary:David primarily contributed to the RDKit library by implementing and modifying 2D depiction features within the `rdkit/rdkit` repository. Their contributions included fixing bugs, refining the layout of atom and bond drawings, and adding functionality for annotating and highlighting elements. Furthermore, the user was involved in integrating a new FreeType font for text rendering, optimizing scaling calculations, and ensuring that the drawings handled small canvas sizes correctly. They also added the option to handle the bond stereochemistry from the original source, to reflect the intended view.
cheminformaticsrdkitpythonc-plus-plussources
DavidACosgrove/HTML-SDF-Viewer
Jul 2017 - Aug 2017
Contributions:18 commits, 2 pushes, 1 branch in 15 days
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