Cédric Bouysset
Cheminformatics Research Scientist III
Oxford, England, United Kingdom
Summary
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Rockstar🎓
Top SchoolCédric Bouysset is a cheminformatics research scientist with nine years’ experience applying molecular modeling, machine learning and software engineering to drug discovery and sensory science. He holds a PhD and has built end-to-end computational workflows and tools—such as ChemFlow and webservers for sweetness prediction—while contributing substantive interoperability improvements to the widely used MDAnalysis library to bridge it with RDKit. Based in Oxford, he has worked in both industry (Exscientia, Recursion) and academia, routinely combining molecular dynamics, docking, and ML-driven virtual screening to accelerate compound R&D. He’s comfortable shipping production-ready code and research software for clusters and web deployment, and his portfolio demonstrates a mix of scientific rigor and pragmatic engineering. An unexpected strength is his track record of enhancing toolchain interoperability, making specialized cheminformatics methods accessible across ecosystems.
8 years of coding experience
3 years of employment as a software developer
Master, Chemoinformatique, Master, Chemoinformatique at Université de StrasbourgBaccalauréat, S, Mention Bien, Baccalauréat, S, Mention Bien at Lycée Albert 1erLicence, Chimie, Mention Bien, Licence, Chimie, Mention Bien at Université Nice Sophia Antipolis (membre d'Université Côte d'Azur)
Italian, English, French
Github Skills (10)
rdkit10
analyse10
computational-chemistry10
molecular-dynamics-simulation10
mdanalysis10
molecular-simulation10
python10
nonlinear-dynamics10
numpy9
testing8
Programming languages (8)
Github contributions (5)
MDAnalysis/mdanalysis
Mar 2020 - Apr 2022
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Role in this project:
Back-end Developer
Back-end DeveloperContributions:43 reviews, 17 commits, 22 PRs in 2 years
Contributions summary:Cédric focused on improving the MDAnalysis library, specifically by refactoring and enhancing its functionality related to molecular dynamics simulations. Their contributions include replacing deprecated code with modern alternatives, adding new features such as progress bars, and improving the RDKit interoperability. They also addressed bugs and incorporated new functionalities like SMARTS-based selections, enhancing the library's analysis capabilities.
molecular-dynamics-simulationmolecular-dynamics-simulationspython-librarypythonscience
cbouy/mols2grid
Mar 2021 - Dec 2022
Interactive molecule viewer for 2D structures
Contributions:14 releases, 196 commits, 28 PRs in 1 year 9 months
cheminformaticsrdkitpythonmolecule-viewermolecule
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